AO-081/15569094
TL;DR: AO-081/15569094 (CAS 380891-95-2) is a chemical compound with molecular formula C19H13ClN2O5S and molecular weight 416.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[5-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: AO-081/15569094, 4-chloro-3-[5-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid, (Z)-3-(5-((1-allyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)-4-chlorobenzoic acid, 4-chloro-3-(5-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}furan-2-yl)benzoic acid, 4-CHLORO-3-(5-{[(5Z)-4,6-DIOXO-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINAN-5-YLIDENE]METHYL}FURAN-2-YL)BENZOIC ACID
| Molecular Formula | C19H13ClN2O5S |
|---|---|
| Molecular Weight | 416.02 g/mol |
| LogP | 3.1109 |
| Topological Polar Surface Area | 99.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.02338 |
| Heavy Atoms | 28 |
| Complexity | 1056.3435 |
Chemical Identifiers
| CAS Number | 380891-95-2 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl)/C(=O)NC1=S |
Product Overview
AO-081/15569094 (CAS 380891-95-2), with molecular formula C19H13ClN2O5S and molecular weight 416.02 g/mol. IUPAC: 4-chloro-3-[5-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of AO-081/15569094
Property Insights of AO-081/15569094
The XLogP value of 3.1109 indicates that AO-081/15569094 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/15569094. Following Lipinski's Rule of Five, AO-081/15569094 has 2 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 AO-081/15569094?
The CAS number of AO-081/15569094 is 380891-95-2.
What is the molecular formula of AO-081/15569094?
The molecular formula of AO-081/15569094 is C19H13ClN2O5S.
What is the molecular weight of AO-081/15569094?
The molecular weight of AO-081/15569094 is 416.02 g/mol.
Where can I buy AO-081/15569094?
You can request a quote for AO-081/15569094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/15569094?
Yes, KEHONG BIO provides custom synthesis services for AO-081/15569094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.