(1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate
TL;DR: (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate (CAS 1212232-15-9) is a chemical compound with molecular formula C29H31NO8 and molecular weight 521.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
Also Known As: (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate, [3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate, 3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate
| Molecular Formula | C29H31NO8 |
|---|---|
| Molecular Weight | 521.20 g/mol |
| LogP | 4.45512 |
| Topological Polar Surface Area | 121.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.20496 |
| Heavy Atoms | 38 |
| Complexity | 1356.2458 |
Chemical Identifiers
| CAS Number | 1212232-15-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4)CC(=O)OC |
Product Overview
(1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate (CAS 1212232-15-9), with molecular formula C29H31NO8 and molecular weight 521.20 g/mol. IUPAC: [3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate.
Chemical Property Profile of (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate
Property Insights of (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate
The XLogP value of 4.45512 indicates that (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate. Following Lipinski's Rule of Five, (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate?
The CAS number of (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is 1212232-15-9.
What is the molecular formula of (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate?
The molecular formula of (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is C29H31NO8.
What is the molecular weight of (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate?
The molecular weight of (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is 521.20 g/mol.
Where can I buy (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate?
You can request a quote for (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (1r,4r)-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.