AB00687136-01
TL;DR: AB00687136-01 (CAS 853904-16-2) is a chemical compound with molecular formula C17H15NO7S2 and molecular weight 409.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
Also Known As: AB00687136-01, F1951-0346, (Z)-2-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid, 2-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid, 2-[(5Z)-5-{[4-(METHOXYCARBONYL)PHENYL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PENTANEDIOIC ACID
| Molecular Formula | C17H15NO7S2 |
|---|---|
| Molecular Weight | 409.03 g/mol |
| LogP | 1.9924 |
| Topological Polar Surface Area | 121.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.029 |
| Heavy Atoms | 27 |
| Complexity | 832.1886 |
Chemical Identifiers
| CAS Number | 853904-16-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O |
Product Overview
AB00687136-01 (CAS 853904-16-2), with molecular formula C17H15NO7S2 and molecular weight 409.03 g/mol. IUPAC: 2-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid.
Chemical Property Profile of AB00687136-01
Property Insights of AB00687136-01
The XLogP value of 1.9924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00687136-01. The TPSA of 121.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687136-01. Following Lipinski's Rule of Five, AB00687136-01 has 2 hydrogen bond donor(s) and 7 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 AB00687136-01?
The CAS number of AB00687136-01 is 853904-16-2.
What is the molecular formula of AB00687136-01?
The molecular formula of AB00687136-01 is C17H15NO7S2.
What is the molecular weight of AB00687136-01?
The molecular weight of AB00687136-01 is 409.03 g/mol.
Where can I buy AB00687136-01?
You can request a quote for AB00687136-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687136-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687136-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.