AN-648/41667563
TL;DR: AN-648/41667563 (CAS 577790-52-4) is a chemical compound with molecular formula C16H12N2O4S and molecular weight 328.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(Z)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
Also Known As: AN-648/41667563, 3-(2-{[(5E)-3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid, (Z)-3-(2-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid, 3-[2-[(Z)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
| Molecular Formula | C16H12N2O4S |
|---|---|
| Molecular Weight | 328.05 g/mol |
| LogP | 2.8416 |
| Topological Polar Surface Area | 79.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0518 |
| Heavy Atoms | 23 |
| Complexity | 853.2701 |
Chemical Identifiers
| CAS Number | 577790-52-4 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC=CN2C3=CC=CC(=C3)C(=O)O)/SC1=O |
Product Overview
AN-648/41667563 (CAS 577790-52-4), with molecular formula C16H12N2O4S and molecular weight 328.05 g/mol. IUPAC: 3-[2-[(Z)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid.
Chemical Property Profile of AN-648/41667563
Property Insights of AN-648/41667563
The XLogP value of 2.8416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-648/41667563. The TPSA of 79.61 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/41667563. Following Lipinski's Rule of Five, AN-648/41667563 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 AN-648/41667563?
The CAS number of AN-648/41667563 is 577790-52-4.
What is the molecular formula of AN-648/41667563?
The molecular formula of AN-648/41667563 is C16H12N2O4S.
What is the molecular weight of AN-648/41667563?
The molecular weight of AN-648/41667563 is 328.05 g/mol.
Where can I buy AN-648/41667563?
You can request a quote for AN-648/41667563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/41667563?
Yes, KEHONG BIO provides custom synthesis services for AN-648/41667563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.