AN-979/15448148
TL;DR: AN-979/15448148 (CAS 444116-52-3) is a chemical compound with molecular formula C18H13ClN2O5 and molecular weight 372.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid
Also Known As: AN-979/15448148, 4-chloro-2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoic Acid, 4-chloro-2-(3-(1,3-dioxoisoindolin-2-yl)propanamido)benzoic acid, 4-chloro-2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}benzoic acid
| Molecular Formula | C18H13ClN2O5 |
|---|---|
| Molecular Weight | 372.05 g/mol |
| LogP | 2.663 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.0513 |
| Heavy Atoms | 26 |
| Complexity | 905.9287 |
Chemical Identifiers
| CAS Number | 444116-52-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O |
Product Overview
AN-979/15448148 (CAS 444116-52-3), with molecular formula C18H13ClN2O5 and molecular weight 372.05 g/mol. IUPAC: 4-chloro-2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid.
Chemical Property Profile of AN-979/15448148
Property Insights of AN-979/15448148
The XLogP value of 2.663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-979/15448148. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-979/15448148. Following Lipinski's Rule of Five, AN-979/15448148 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 AN-979/15448148?
The CAS number of AN-979/15448148 is 444116-52-3.
What is the molecular formula of AN-979/15448148?
The molecular formula of AN-979/15448148 is C18H13ClN2O5.
What is the molecular weight of AN-979/15448148?
The molecular weight of AN-979/15448148 is 372.05 g/mol.
Where can I buy AN-979/15448148?
You can request a quote for AN-979/15448148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-979/15448148?
Yes, KEHONG BIO provides custom synthesis services for AN-979/15448148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.