AN-648/41666256
TL;DR: AN-648/41666256 (CAS 591209-93-7) is a chemical compound with molecular formula C22H16ClN3O4S and molecular weight 453.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetic acid
Also Known As: AN-648/41666256, {3-[(1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-indol-1-yl}acetic acid, (3-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetic acid, (E)-2-(3-((1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)acetic acid, 2-[3-[(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetic acid
| Molecular Formula | C22H16ClN3O4S |
|---|---|
| Molecular Weight | 453.06 g/mol |
| LogP | 3.51902 |
| Topological Polar Surface Area | 91.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.055 |
| Heavy Atoms | 31 |
| Complexity | 1311.3284 |
Chemical Identifiers
| CAS Number | 591209-93-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC(=O)O)/C(=O)NC2=S |
Product Overview
AN-648/41666256 (CAS 591209-93-7), with molecular formula C22H16ClN3O4S and molecular weight 453.06 g/mol. IUPAC: 2-[3-[(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetic acid.
Chemical Property Profile of AN-648/41666256
Property Insights of AN-648/41666256
The XLogP value of 3.51902 indicates that AN-648/41666256 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-648/41666256. Following Lipinski's Rule of Five, AN-648/41666256 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-648/41666256?
The CAS number of AN-648/41666256 is 591209-93-7.
What is the molecular formula of AN-648/41666256?
The molecular formula of AN-648/41666256 is C22H16ClN3O4S.
What is the molecular weight of AN-648/41666256?
The molecular weight of AN-648/41666256 is 453.06 g/mol.
Where can I buy AN-648/41666256?
You can request a quote for AN-648/41666256 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/41666256?
Yes, KEHONG BIO provides custom synthesis services for AN-648/41666256 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.