RefChem:331821
TL;DR: RefChem:331821 (CAS 50823-52-4) is a chemical compound with molecular formula C15H21NO5 and molecular weight 295.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-hydroxy-2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)carbamate
Also Known As: 6-Carbomethoxyamino-2,3-dimethoxy-4-hydroxybenzocycloheptane, Carbamic acid, (2,3-dimethoxy-4-hydroxy-6,7,8,9-tetrahydrobenzocyclohepten-6-yl)-, methyl ester, 2,3-dimethoxy-6-6,7,8,9-tetrahydro-5h-benzocyclohepten-4-ol, 2,3-Dimethoxy-6- -6,7,8,9-tetrahydro-5H-benzocyclohepten-4-ol, methyl N-(4-hydroxy-2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)carbamate
| Molecular Formula | C15H21NO5 |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.14197 |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 50823-52-4 |
|---|---|
| SMILES | COC1=C(C(=C2CC(CCCC2=C1)NC(=O)OC)O)OC |
| InChIKey | PWFIXEFPEFAERD-UHFFFAOYSA-N |
Product Overview
RefChem:331821 (CAS 50823-52-4), with molecular formula C15H21NO5 and molecular weight 295.14 g/mol. IUPAC: methyl N-(4-hydroxy-2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)carbamate.
Chemical Property Profile of RefChem:331821
Property Insights of RefChem:331821
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331821. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331821. Following Lipinski's Rule of Five, RefChem:331821 has 2 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:331821?
The CAS number of RefChem:331821 is 50823-52-4.
What is the molecular formula of RefChem:331821?
The molecular formula of RefChem:331821 is C15H21NO5.
What is the molecular weight of RefChem:331821?
The molecular weight of RefChem:331821 is 295.14 g/mol.
Where can I buy RefChem:331821?
You can request a quote for RefChem:331821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331821?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.