RefChem:296687
TL;DR: RefChem:296687 (CAS 70385-07-8) is a chemical compound with molecular formula C16H17ClN2O4 and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-chloro-16-oxo-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-triene-12-carboxylate
Also Known As: 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-2(1H)-carboxylic acid, 3,4,10,10a-tetrahydro-8-chloro-12-oxo-, methyl ester, Methyl 8-chloro-12-hydroxy-3,4,10,10a-tetrahydro-4a,10-(azenoethanylylidene)[1]benzopyrano[3,2-c]pyridine-2(1H)-carboxylate, RefChem:296687
| Molecular Formula | C16H17ClN2O4 |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 2.1205 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 336.08768 |
| Heavy Atoms | 23 |
| Complexity | 694.65784 |
Chemical Identifiers
| CAS Number | 70385-07-8 |
|---|---|
| SMILES | COC(=O)N1CCC23C(C1)C(CC(=O)N2)C4=C(O3)C=CC(=C4)Cl |
Product Overview
RefChem:296687 (CAS 70385-07-8), with molecular formula C16H17ClN2O4 and molecular weight 336.09 g/mol. IUPAC: methyl 6-chloro-16-oxo-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-triene-12-carboxylate.
Chemical Property Profile of RefChem:296687
Property Insights of RefChem:296687
The XLogP value of 2.1205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:296687. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:296687. Following Lipinski's Rule of Five, RefChem:296687 has 1 hydrogen bond donor(s) and 4 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:296687?
The CAS number of RefChem:296687 is 70385-07-8.
What is the molecular formula of RefChem:296687?
The molecular formula of RefChem:296687 is C16H17ClN2O4.
What is the molecular weight of RefChem:296687?
The molecular weight of RefChem:296687 is 336.09 g/mol.
Where can I buy RefChem:296687?
You can request a quote for RefChem:296687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:296687?
Yes, KEHONG BIO provides custom synthesis services for RefChem:296687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.