AH-487/40956818
TL;DR: AH-487/40956818 (CAS 508185-13-5) is a chemical compound with molecular formula C22H16ClFN2O3S and molecular weight 442.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid
Also Known As: AH-487/40956818, 3-[1-(3-CHLORO-1-BENZOTHIOPHENE-2-AMIDO)-5-(4-FLUOROPHENYL)-1H-PYRROL-2-YL]PROPANOIC ACID, 3-[1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid, 3-[1-[(3-chlorobenzothiophene-2-carbonyl)amino]-5-(4-fluorophenyl)pyrrol-2-yl]propanoic Acid, 3-[1-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid
| Molecular Formula | C22H16ClFN2O3S |
|---|---|
| Molecular Weight | 442.06 g/mol |
| LogP | 5.5634 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.05542 |
| Heavy Atoms | 30 |
| Complexity | 1247.2466 |
Chemical Identifiers
| CAS Number | 508185-13-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NN3C(=CC=C3C4=CC=C(C=C4)F)CCC(=O)O)Cl |
Product Overview
AH-487/40956818 (CAS 508185-13-5), with molecular formula C22H16ClFN2O3S and molecular weight 442.06 g/mol. IUPAC: 3-[1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid.
Chemical Property Profile of AH-487/40956818
Property Insights of AH-487/40956818
The XLogP value of 5.5634 indicates that AH-487/40956818 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/40956818. Following Lipinski's Rule of Five, AH-487/40956818 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AH-487/40956818?
The CAS number of AH-487/40956818 is 508185-13-5.
What is the molecular formula of AH-487/40956818?
The molecular formula of AH-487/40956818 is C22H16ClFN2O3S.
What is the molecular weight of AH-487/40956818?
The molecular weight of AH-487/40956818 is 442.06 g/mol.
Where can I buy AH-487/40956818?
You can request a quote for AH-487/40956818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/40956818?
Yes, KEHONG BIO provides custom synthesis services for AH-487/40956818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.