AN-988/15131054
TL;DR: AN-988/15131054 (CAS 593275-08-2) is a chemical compound with molecular formula C21H15ClN4O3 and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-chlorophenoxy]acetic acid
Also Known As: AN-988/15131054, (Z)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-chlorophenoxy)acetic acid, {4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-chlorophenoxy}acetic acid, {4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-chlorophenoxy}acetic acid, {4-[2-Amino-3,7-dicyano-4,6-dimethyl-[1]pyrindin-(5Z)-ylidenemethyl]-2-chloro-phenoxy}-acetic acid
| Molecular Formula | C21H15ClN4O3 |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 3.81198 |
| Topological Polar Surface Area | 133.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.08328 |
| Heavy Atoms | 29 |
| Complexity | 1199.8728 |
Chemical Identifiers
| CAS Number | 593275-08-2 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C\C3=CC(=C(C=C3)OCC(=O)O)Cl)C(=C(C(=N2)N)C#N)C)C#N |
Product Overview
AN-988/15131054 (CAS 593275-08-2), with molecular formula C21H15ClN4O3 and molecular weight 406.08 g/mol. IUPAC: 2-[4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-chlorophenoxy]acetic acid.
Chemical Property Profile of AN-988/15131054
Property Insights of AN-988/15131054
The XLogP value of 3.81198 indicates that AN-988/15131054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/15131054. Following Lipinski's Rule of Five, AN-988/15131054 has 2 hydrogen bond donor(s) and 6 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 AN-988/15131054?
The CAS number of AN-988/15131054 is 593275-08-2.
What is the molecular formula of AN-988/15131054?
The molecular formula of AN-988/15131054 is C21H15ClN4O3.
What is the molecular weight of AN-988/15131054?
The molecular weight of AN-988/15131054 is 406.08 g/mol.
Where can I buy AN-988/15131054?
You can request a quote for AN-988/15131054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/15131054?
Yes, KEHONG BIO provides custom synthesis services for AN-988/15131054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.