6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-
TL;DR: 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro- (CAS 66427-83-6) is a chemical compound with molecular formula C11H7ClN4O and molecular weight 246.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5,11-dihydropyrimido[4,5-b][1,4]benzodiazepin-6-one
Also Known As: 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-, 2-chloro-5,11-dihydropyrimido[4,5-b][1,4]benzodiazepin-6-one, 2-Chloro-5,11-dihydro-6H-pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-Chloro-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 2-CHLORO-5,11-DIHYDROPYRIMIDO(4,5-B)(1,4)BENZODIAZEPIN-6-ONE
| Molecular Formula | C11H7ClN4O |
|---|---|
| Molecular Weight | 246.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.03084 |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 66427-83-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NC3=CN=C(N=C3N2)Cl |
| InChIKey | JQQCNZKVCGQHEY-UHFFFAOYSA-N |
Product Overview
6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro- (CAS 66427-83-6), with molecular formula C11H7ClN4O and molecular weight 246.03 g/mol. IUPAC: 2-chloro-5,11-dihydropyrimido[4,5-b][1,4]benzodiazepin-6-one.
Chemical Property Profile of 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-
Property Insights of 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-. Following Lipinski's Rule of Five, 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro- has 2 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 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-?
The CAS number of 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro- is 66427-83-6.
What is the molecular formula of 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-?
The molecular formula of 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro- is C11H7ClN4O.
What is the molecular weight of 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-?
The molecular weight of 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro- is 246.03 g/mol.
Where can I buy 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-?
You can request a quote for 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.