AO-081/14336019
TL;DR: AO-081/14336019 (CAS 340304-49-6) is a chemical compound with molecular formula C21H11ClN2O4S and molecular weight 422.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-[5-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: AO-081/14336019, (E)-2-chloro-4-(5-((3-oxobenzo[4,5]imidazo[2,1-b]thiazol-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid, 2-CHLORO-4-(5-{[3-OXO[1,3]THIAZOLO[3,2-A][1,3]BENZIMIDAZOL-2(3H)-YLIDEN]METHYL}-2-FURYL)BENZOIC ACID, 2-chloro-4-[5-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid, 2-chloro-4-{5-[(E)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-2-furyl}benzoic acid
| Molecular Formula | C21H11ClN2O4S |
|---|---|
| Molecular Weight | 422.01 g/mol |
| LogP | 4.0685 |
| Topological Polar Surface Area | 84.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.01282 |
| Heavy Atoms | 29 |
| Complexity | 1529.6394 |
Chemical Identifiers
| CAS Number | 340304-49-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C3N2C(=O)/C(=C\C4=CC=C(O4)C5=CC(=C(C=C5)C(=O)O)Cl)/S3 |
Product Overview
AO-081/14336019 (CAS 340304-49-6), with molecular formula C21H11ClN2O4S and molecular weight 422.01 g/mol. IUPAC: 2-chloro-4-[5-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of AO-081/14336019
Property Insights of AO-081/14336019
The XLogP value of 4.0685 indicates that AO-081/14336019 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/14336019. Following Lipinski's Rule of Five, AO-081/14336019 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 AO-081/14336019?
The CAS number of AO-081/14336019 is 340304-49-6.
What is the molecular formula of AO-081/14336019?
The molecular formula of AO-081/14336019 is C21H11ClN2O4S.
What is the molecular weight of AO-081/14336019?
The molecular weight of AO-081/14336019 is 422.01 g/mol.
Where can I buy AO-081/14336019?
You can request a quote for AO-081/14336019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/14336019?
Yes, KEHONG BIO provides custom synthesis services for AO-081/14336019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.