AN-648/41664680
TL;DR: AN-648/41664680 (CAS 593272-76-5) is a chemical compound with molecular formula C16H11N3O4S and molecular weight 341.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
Also Known As: AN-648/41664680, 3-{2-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid, 3-[2-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl]benzoic acid, 3-[2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid, 3-(2-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid
| Molecular Formula | C16H11N3O4S |
|---|---|
| Molecular Weight | 341.05 g/mol |
| LogP | 1.0898 |
| Topological Polar Surface Area | 100.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.04703 |
| Heavy Atoms | 24 |
| Complexity | 891.5513 |
Chemical Identifiers
| CAS Number | 593272-76-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C=CC=C2C=C3C(=O)NC(=S)NC3=O)C(=O)O |
Product Overview
AN-648/41664680 (CAS 593272-76-5), with molecular formula C16H11N3O4S and molecular weight 341.05 g/mol. IUPAC: 3-[2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid.
Chemical Property Profile of AN-648/41664680
Property Insights of AN-648/41664680
The XLogP value of 1.0898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-648/41664680. The TPSA of 100.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/41664680. Following Lipinski's Rule of Five, AN-648/41664680 has 3 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-648/41664680?
The CAS number of AN-648/41664680 is 593272-76-5.
What is the molecular formula of AN-648/41664680?
The molecular formula of AN-648/41664680 is C16H11N3O4S.
What is the molecular weight of AN-648/41664680?
The molecular weight of AN-648/41664680 is 341.05 g/mol.
Where can I buy AN-648/41664680?
You can request a quote for AN-648/41664680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/41664680?
Yes, KEHONG BIO provides custom synthesis services for AN-648/41664680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.