AB00117331-01
TL;DR: AB00117331-01 (CAS 432002-34-1) is a chemical compound with molecular formula C19H13NO5S and molecular weight 367.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-4-methylbenzoic acid
Also Known As: AB00117331-01, 3-(5-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid, (E)-3-(5-((2,4-dioxo-3-(prop-2-yn-1-yl)thiazolidin-5-ylidene)methyl)furan-2-yl)-4-methylbenzoic acid, 3-[5-[(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-2-furyl]-4-methyl-benzoic Acid, 3-[5-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-4-methylbenzoic acid
| Molecular Formula | C19H13NO5S |
|---|---|
| Molecular Weight | 367.05 g/mol |
| LogP | 3.62272 |
| Topological Polar Surface Area | 87.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.05145 |
| Heavy Atoms | 26 |
| Complexity | 995.5987 |
Chemical Identifiers
| CAS Number | 432002-34-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)/C=C/3\C(=O)N(C(=O)S3)CC#C |
Product Overview
AB00117331-01 (CAS 432002-34-1), with molecular formula C19H13NO5S and molecular weight 367.05 g/mol. IUPAC: 3-[5-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-4-methylbenzoic acid.
Chemical Property Profile of AB00117331-01
Property Insights of AB00117331-01
The XLogP value of 3.62272 indicates that AB00117331-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117331-01. Following Lipinski's Rule of Five, AB00117331-01 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 AB00117331-01?
The CAS number of AB00117331-01 is 432002-34-1.
What is the molecular formula of AB00117331-01?
The molecular formula of AB00117331-01 is C19H13NO5S.
What is the molecular weight of AB00117331-01?
The molecular weight of AB00117331-01 is 367.05 g/mol.
Where can I buy AB00117331-01?
You can request a quote for AB00117331-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117331-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117331-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.