AN-648/41665009
TL;DR: AN-648/41665009 (CAS 666209-73-0) is a chemical compound with molecular formula C22H14ClN3O4S and molecular weight 451.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
Also Known As: AN-648/41665009, 3-(2-{(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid, (E)-3-(2-((1-(4-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid, 3-[2-[(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid, 3-(2-{(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
| Molecular Formula | C22H14ClN3O4S |
|---|---|
| Molecular Weight | 451.04 g/mol |
| LogP | 3.6602 |
| Topological Polar Surface Area | 91.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.03937 |
| Heavy Atoms | 31 |
| Complexity | 1263.7703 |
Chemical Identifiers
| CAS Number | 666209-73-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C=CC=C2/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl)C(=O)O |
Product Overview
AN-648/41665009 (CAS 666209-73-0), with molecular formula C22H14ClN3O4S and molecular weight 451.04 g/mol. IUPAC: 3-[2-[(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid.
Chemical Property Profile of AN-648/41665009
Property Insights of AN-648/41665009
The XLogP value of 3.6602 indicates that AN-648/41665009 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-648/41665009. Following Lipinski's Rule of Five, AN-648/41665009 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-648/41665009?
The CAS number of AN-648/41665009 is 666209-73-0.
What is the molecular formula of AN-648/41665009?
The molecular formula of AN-648/41665009 is C22H14ClN3O4S.
What is the molecular weight of AN-648/41665009?
The molecular weight of AN-648/41665009 is 451.04 g/mol.
Where can I buy AN-648/41665009?
You can request a quote for AN-648/41665009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/41665009?
Yes, KEHONG BIO provides custom synthesis services for AN-648/41665009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.