![methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate structure](/static/products/1005/1005262-81-6.webp)
methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
TL;DR: methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate (CAS 1005262-81-6) is a chemical compound with molecular formula C25H21ClN2O5 and molecular weight 464.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(6-chloro-4-oxochromen-3-yl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
Also Known As: methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate, methyl 11-(6-chloro-4-oxochromen-3-yl)-3-methyl-1-oxo-2,3,4-trihydro-5H,10H,11 H-benzo[b]benzo[3,4-f]1,4-diazepine-2-carboxylate, methyl 6-(6-chloro-4-oxochromen-3-yl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
| Molecular Formula | C25H21ClN2O5 |
|---|---|
| Molecular Weight | 464.11 g/mol |
| LogP | 4.6773 |
| Topological Polar Surface Area | 97.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 464.1139 |
| Heavy Atoms | 33 |
| Complexity | 1393.0529 |
Chemical Identifiers
| CAS Number | 1005262-81-6 |
|---|---|
| SMILES | CC1CC2=C(C(NC3=CC=CC=C3N2)C4=COC5=C(C4=O)C=C(C=C5)Cl)C(=O)C1C(=O)OC |
Product Overview
methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate (CAS 1005262-81-6), with molecular formula C25H21ClN2O5 and molecular weight 464.11 g/mol. IUPAC: methyl 6-(6-chloro-4-oxochromen-3-yl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate.
Chemical Property Profile of methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Property Insights of methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
The XLogP value of 4.6773 indicates that methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.64 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate. Following Lipinski's Rule of Five, methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate has 2 hydrogen bond donor(s) and 7 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 methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate?
The CAS number of methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate is 1005262-81-6.
What is the molecular formula of methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate?
The molecular formula of methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate is C25H21ClN2O5.
What is the molecular weight of methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate?
The molecular weight of methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate is 464.11 g/mol.
Where can I buy methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate?
You can request a quote for methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.