4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester
TL;DR: 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester (CAS 70384-95-1) is a chemical compound with molecular formula C18H21ClN2O4 and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-chloro-12-methyl-16-oxo-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-triene-15-carboxylate
Also Known As: 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester, Ethyl 8-chloro-2-methyl-12-oxo-1,2,3,4,10,10a-hexahydro-4a,10-(epiminoethano)[1]benzopyrano[3,2-c]pyridine-13-carboxylate, RefChem:296685
| Molecular Formula | C18H21ClN2O4 |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 2.8528 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 364.119 |
| Heavy Atoms | 25 |
| Complexity | 739.7863 |
Chemical Identifiers
| CAS Number | 70384-95-1 |
|---|---|
| SMILES | CCOC(=O)N1C(=O)CC2C3C1(CCN(C3)C)OC4=C2C=C(C=C4)Cl |
Product Overview
4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester (CAS 70384-95-1), with molecular formula C18H21ClN2O4 and molecular weight 364.12 g/mol. IUPAC: ethyl 6-chloro-12-methyl-16-oxo-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-triene-15-carboxylate.
Chemical Property Profile of 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester
Property Insights of 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester
The XLogP value of 2.8528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 59.08 Ų, 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester has 0 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 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester?
The CAS number of 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester is 70384-95-1.
What is the molecular formula of 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester?
The molecular formula of 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester is C18H21ClN2O4.
What is the molecular weight of 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester?
The molecular weight of 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester is 364.12 g/mol.
Where can I buy 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester?
You can request a quote for 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4a,10-(Iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridine-11-carboxylic acid, 1,2,3,4,10,10a-hexahydro-8-chloro-2-methyl-12-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.