BAS 01258804
TL;DR: BAS 01258804 (CAS 306324-29-8) is a chemical compound with molecular formula C17H17NO5S2 and molecular weight 379.05 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]-3-methylbutanoic acid
Also Known As: BAS 01258804, 2-[(5Z)-5-{[4-(METHOXYCARBONYL)PHENYL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]-3-METHYLBUTANOIC ACID, F0393-0134, (Z)-2-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid, 2-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
| Molecular Formula | C17H17NO5S2 |
|---|---|
| Molecular Weight | 379.05 g/mol |
| LogP | 2.7836 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.0548 |
| Heavy Atoms | 25 |
| Complexity | 754.80664 |
Chemical Identifiers
| CAS Number | 306324-29-8 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC)/SC1=S |
Product Overview
BAS 01258804 (CAS 306324-29-8), with molecular formula C17H17NO5S2 and molecular weight 379.05 g/mol. IUPAC: 2-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid.
Chemical Property Profile of BAS 01258804
Property Insights of BAS 01258804
The XLogP value of 2.7836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01258804. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01258804. Following Lipinski's Rule of Five, BAS 01258804 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 01258804?
The CAS number of BAS 01258804 is 306324-29-8.
What is the molecular formula of BAS 01258804?
The molecular formula of BAS 01258804 is C17H17NO5S2.
What is the molecular weight of BAS 01258804?
The molecular weight of BAS 01258804 is 379.05 g/mol.
Where can I buy BAS 01258804?
You can request a quote for BAS 01258804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01258804?
Yes, KEHONG BIO provides custom synthesis services for BAS 01258804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.