RefChem:331815
TL;DR: RefChem:331815 (CAS 50823-57-9) is a chemical compound with molecular formula C16H23NO5 and molecular weight 309.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)carbamate
Also Known As: 6-(N-Carbomethoxy)amino-2,3,4-trimethoxybenzocycloheptane, 6-Oximido-2,3,4-trimethoxybenzocycloheptane, (2,3,4-Trimethoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl)carbamic acid methyl ester, Carbamic acid, (2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl)-, methyl ester, (2,3,4-Trimethoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl)-carbamic acid methyl ester
| Molecular Formula | C16H23NO5 |
|---|---|
| Molecular Weight | 309.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.15762 |
| Heavy Atoms | 22 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 50823-57-9 |
|---|---|
| SMILES | COC1=C(C(=C2CC(CCCC2=C1)NC(=O)OC)OC)OC |
| InChIKey | BNPWEZZZLIFSAA-UHFFFAOYSA-N |
Product Overview
RefChem:331815 (CAS 50823-57-9), with molecular formula C16H23NO5 and molecular weight 309.16 g/mol. IUPAC: methyl N-(2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)carbamate.
Chemical Property Profile of RefChem:331815
Property Insights of RefChem:331815
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331815. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331815. Following Lipinski's Rule of Five, RefChem:331815 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331815?
The CAS number of RefChem:331815 is 50823-57-9.
What is the molecular formula of RefChem:331815?
The molecular formula of RefChem:331815 is C16H23NO5.
What is the molecular weight of RefChem:331815?
The molecular weight of RefChem:331815 is 309.16 g/mol.
Where can I buy RefChem:331815?
You can request a quote for RefChem:331815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331815?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.