AB00108590-01
TL;DR: AB00108590-01 (CAS 428482-30-8) is a chemical compound with molecular formula C18H13NO4S2 and molecular weight 371.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
Also Known As: AB00108590-01, A3070/0129770, (E)-4-((2-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid, 4-({2-[(4-OXO-2-THIOXO-1,3-THIAZOLAN-5-YLIDEN)METHYL]PHENOXY}METHYL)BENZOIC ACID, 4-({2-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzoic acid
| Molecular Formula | C18H13NO4S2 |
|---|---|
| Molecular Weight | 371.03 g/mol |
| LogP | 3.4526 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.0286 |
| Heavy Atoms | 25 |
| Complexity | 874.8997 |
Chemical Identifiers
| CAS Number | 428482-30-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/2\C(=O)NC(=S)S2)OCC3=CC=C(C=C3)C(=O)O |
Product Overview
AB00108590-01 (CAS 428482-30-8), with molecular formula C18H13NO4S2 and molecular weight 371.03 g/mol. IUPAC: 4-[[2-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of AB00108590-01
Property Insights of AB00108590-01
The XLogP value of 3.4526 indicates that AB00108590-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00108590-01. Following Lipinski's Rule of Five, AB00108590-01 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 AB00108590-01?
The CAS number of AB00108590-01 is 428482-30-8.
What is the molecular formula of AB00108590-01?
The molecular formula of AB00108590-01 is C18H13NO4S2.
What is the molecular weight of AB00108590-01?
The molecular weight of AB00108590-01 is 371.03 g/mol.
Where can I buy AB00108590-01?
You can request a quote for AB00108590-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00108590-01?
Yes, KEHONG BIO provides custom synthesis services for AB00108590-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.