AB00744800-01
TL;DR: AB00744800-01 (CAS 845663-65-2) is a chemical compound with molecular formula C23H18ClN5O3 and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[5-cyano-7-(2-methoxyethyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]benzamide
Also Known As: AB00744800-01, (E)-4-chloro-N-(3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide, 4-chloro-N-[(2E)-3-cyano-1-(2-methoxyethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
| Molecular Formula | C23H18ClN5O3 |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 2.8702 |
| Topological Polar Surface Area | 101.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.1098 |
| Heavy Atoms | 32 |
| Complexity | 1528.8312 |
Chemical Identifiers
| CAS Number | 845663-65-2 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)C4=CC=C(C=C4)Cl)N3CCOC)C#N |
Product Overview
AB00744800-01 (CAS 845663-65-2), with molecular formula C23H18ClN5O3 and molecular weight 447.11 g/mol. IUPAC: 4-chloro-N-[5-cyano-7-(2-methoxyethyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]benzamide.
Chemical Property Profile of AB00744800-01
Property Insights of AB00744800-01
The XLogP value of 2.8702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00744800-01. The TPSA of 101.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00744800-01. Following Lipinski's Rule of Five, AB00744800-01 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 AB00744800-01?
The CAS number of AB00744800-01 is 845663-65-2.
What is the molecular formula of AB00744800-01?
The molecular formula of AB00744800-01 is C23H18ClN5O3.
What is the molecular weight of AB00744800-01?
The molecular weight of AB00744800-01 is 447.11 g/mol.
Where can I buy AB00744800-01?
You can request a quote for AB00744800-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00744800-01?
Yes, KEHONG BIO provides custom synthesis services for AB00744800-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.