AS-871/41320466
TL;DR: AS-871/41320466 (CAS 462069-18-7) is a chemical compound with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid
Also Known As: AS-871/41320466, F1192-0009, 2-[2-(3-nitrophenyl)-4-sulfanylidene-1,4,5,6,7,8-hexahydroquinazolin-1-yl]acetic acid, 2-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]acetic Acid, 2-[2-(3-nitrophenyl)-4-thioxo-1,5,6,7,8-pentahydroquinazolinyl]acetic acid
| Molecular Formula | C16H15N3O4S |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.07834 |
| Heavy Atoms | 24 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 462069-18-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=S)N=C(N2CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | JGBOXLDSXOBXFA-UHFFFAOYSA-N |
Product Overview
AS-871/41320466 (CAS 462069-18-7), with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol. IUPAC: 2-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid.
Chemical Property Profile of AS-871/41320466
Property Insights of AS-871/41320466
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/41320466. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/41320466. Following Lipinski's Rule of Five, AS-871/41320466 has 1 hydrogen bond donor(s) and 5 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 AS-871/41320466?
The CAS number of AS-871/41320466 is 462069-18-7.
What is the molecular formula of AS-871/41320466?
The molecular formula of AS-871/41320466 is C16H15N3O4S.
What is the molecular weight of AS-871/41320466?
The molecular weight of AS-871/41320466 is 345.08 g/mol.
Where can I buy AS-871/41320466?
You can request a quote for AS-871/41320466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41320466?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41320466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.