6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl-
TL;DR: 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl- (CAS 66427-86-9) is a chemical compound with molecular formula C12H9ClN4O and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Also Known As: 2-Chloro-11-methyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2-chloro-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, NCI60_002999, 2-chloro-11-methyl-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one, 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl-
| Molecular Formula | C12H9ClN4O |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.04648 |
| Heavy Atoms | 18 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 66427-86-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=O)NC3=CN=C(N=C31)Cl |
| InChIKey | DJWRRNUDJBTKNW-UHFFFAOYSA-N |
Product Overview
6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl- (CAS 66427-86-9), with molecular formula C12H9ClN4O and molecular weight 260.05 g/mol. IUPAC: 2-chloro-11-methyl-5H-pyrimido[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-11-methyl-
Property Insights of 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl-
The XLogP value of 2.1 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-11-methyl-. With a topological polar surface area (TPSA) of 58.1 Ų, 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl- 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 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl-?
The CAS number of 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl- is 66427-86-9.
What is the molecular formula of 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl-?
The molecular formula of 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl- is C12H9ClN4O.
What is the molecular weight of 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl-?
The molecular weight of 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl- is 260.05 g/mol.
Where can I buy 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl-?
You can request a quote for 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl- 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-11-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-11-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.