7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate
TL;DR: 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate (CAS 108640-99-9) is a chemical compound with molecular formula C23H17ClN2O4 and molecular weight 420.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-methoxybenzoate
Also Known As: 7-Chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl 4-methoxybenzoate, 1H-1,4-Benzodiazepin-3-one, 2,3-dihydro-7-chloro-5-phenyl-, P-methoxybenzoate, Benzoic acid, 4-methoxy-, 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl ester, 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate, (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-methoxybenzoate
| Molecular Formula | C23H17ClN2O4 |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 4.3212 |
| Topological Polar Surface Area | 76.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.08768 |
| Heavy Atoms | 30 |
| Complexity | 1127.6998 |
Chemical Identifiers
| CAS Number | 108640-99-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4 |
Product Overview
7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate (CAS 108640-99-9), with molecular formula C23H17ClN2O4 and molecular weight 420.09 g/mol. IUPAC: (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-methoxybenzoate.
Chemical Property Profile of 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate
Property Insights of 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate
The XLogP value of 4.3212 indicates that 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate. Following Lipinski's Rule of Five, 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate 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 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate?
The CAS number of 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate is 108640-99-9.
What is the molecular formula of 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate?
The molecular formula of 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate is C23H17ClN2O4.
What is the molecular weight of 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate?
The molecular weight of 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate is 420.09 g/mol.
Where can I buy 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate?
You can request a quote for 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.