BAS 00872036
TL;DR: BAS 00872036 (CAS 301688-69-7) is a chemical compound with molecular formula C18H19NO5S2 and molecular weight 393.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Also Known As: BAS 00872036, AE-641/12361033, 6-[(5Z)-5-{[4-(METHOXYCARBONYL)PHENYL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]HEXANOIC ACID, (Z)-6-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid, 6-{5-[4-(methoxycarbonyl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid
| Molecular Formula | C18H19NO5S2 |
|---|---|
| Molecular Weight | 393.07 g/mol |
| LogP | 3.3194 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 393.07047 |
| Heavy Atoms | 26 |
| Complexity | 742.45325 |
Chemical Identifiers
| CAS Number | 301688-69-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCCCC(=O)O |
Product Overview
BAS 00872036 (CAS 301688-69-7), with molecular formula C18H19NO5S2 and molecular weight 393.07 g/mol. IUPAC: 6-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid.
Chemical Property Profile of BAS 00872036
Property Insights of BAS 00872036
The XLogP value of 3.3194 indicates that BAS 00872036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00872036. Following Lipinski's Rule of Five, BAS 00872036 has 1 hydrogen bond donor(s) and 6 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 BAS 00872036?
The CAS number of BAS 00872036 is 301688-69-7.
What is the molecular formula of BAS 00872036?
The molecular formula of BAS 00872036 is C18H19NO5S2.
What is the molecular weight of BAS 00872036?
The molecular weight of BAS 00872036 is 393.07 g/mol.
Where can I buy BAS 00872036?
You can request a quote for BAS 00872036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00872036?
Yes, KEHONG BIO provides custom synthesis services for BAS 00872036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.