![benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate structure](/static/products/7241/7241-97-6.webp)
benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate
TL;DR: benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate (CAS 7241-97-6) is a chemical compound with molecular formula C27H38N2O13 and molecular weight 598.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate
Also Known As: benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate, Benzyl {4-[1-hydroxy-2-(6-methoxy-2,2-dimethyltetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyltetrahydro-2H,4H-[1,3]dioxolo[4,5-c]pyran-7-yl}carbamate, BENZYL N-[2-[1-HYDROXY-2-(2-METHOXY-7,7-DIMETHYL-3,6,8-TRIOXABICYCLO[3.3.0]OCT-4-YL)-2-NITRO-ETHYL]-4-METHOXY-8,8-DIMETHYL-3,7,9-TRIOXABICYCLO[4.3.0]NON-5-YL]CARBAMATE
| Molecular Formula | C27H38N2O13 |
|---|---|
| Molecular Weight | 598.24 g/mol |
| LogP | 1.0704 |
| Topological Polar Surface Area | 175.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 598.23737 |
| Heavy Atoms | 42 |
| Complexity | 1120.505 |
Chemical Identifiers
| CAS Number | 7241-97-6 |
|---|---|
| SMILES | CC1(OC2C(C(OC(C2O1)C(C(C3C4C(C(O3)OC)OC(O4)(C)C)[N+](=O)[O-])O)OC)NC(=O)OCC5=CC=CC=C5)C |
Product Overview
benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate (CAS 7241-97-6), with molecular formula C27H38N2O13 and molecular weight 598.24 g/mol. IUPAC: benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate.
Chemical Property Profile of benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate
Property Insights of benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate
The XLogP value of 1.0704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate. The TPSA of 175.54 Ų indicates high polarity, suggesting benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate?
The CAS number of benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate is 7241-97-6.
What is the molecular formula of benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate?
The molecular formula of benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate is C27H38N2O13.
What is the molecular weight of benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate?
The molecular weight of benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate is 598.24 g/mol.
Where can I buy benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate?
You can request a quote for benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.