AN-648/41665231
TL;DR: AN-648/41665231 (CAS 579446-84-7) is a chemical compound with molecular formula C23H17N3O4S and molecular weight 431.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(Z)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
Also Known As: AN-648/41665231, (Z)-3-(2-((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid, 3-(2-{(Z)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid, 3-[2-[(Z)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
| Molecular Formula | C23H17N3O4S |
|---|---|
| Molecular Weight | 431.09 g/mol |
| LogP | 3.31522 |
| Topological Polar Surface Area | 91.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.09396 |
| Heavy Atoms | 31 |
| Complexity | 1275.0858 |
Chemical Identifiers
| CAS Number | 579446-84-7 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)/C(=C\C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/C(=O)NC2=S |
Product Overview
AN-648/41665231 (CAS 579446-84-7), with molecular formula C23H17N3O4S and molecular weight 431.09 g/mol. IUPAC: 3-[2-[(Z)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid.
Chemical Property Profile of AN-648/41665231
Property Insights of AN-648/41665231
The XLogP value of 3.31522 indicates that AN-648/41665231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/41665231. Following Lipinski's Rule of Five, AN-648/41665231 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-648/41665231?
The CAS number of AN-648/41665231 is 579446-84-7.
What is the molecular formula of AN-648/41665231?
The molecular formula of AN-648/41665231 is C23H17N3O4S.
What is the molecular weight of AN-648/41665231?
The molecular weight of AN-648/41665231 is 431.09 g/mol.
Where can I buy AN-648/41665231?
You can request a quote for AN-648/41665231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/41665231?
Yes, KEHONG BIO provides custom synthesis services for AN-648/41665231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.