BAS 01913816
TL;DR: BAS 01913816 (CAS 329223-98-5) is a chemical compound with molecular formula C13H12N2O3S2 and molecular weight 308.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
Also Known As: BAS 01913816, methyl 3-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanoate, (E)-methyl 3-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)propanoate, methyl 3-[4-oxo-5-(3-pyridylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]propanoat e, methyl 3-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C13H12N2O3S2 |
|---|---|
| Molecular Weight | 308.03 g/mol |
| LogP | 1.8459 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.02893 |
| Heavy Atoms | 20 |
| Complexity | 572.23883 |
Chemical Identifiers
| CAS Number | 329223-98-5 |
|---|---|
| SMILES | COC(=O)CCN1C(=O)/C(=C\C2=CN=CC=C2)/SC1=S |
Product Overview
BAS 01913816 (CAS 329223-98-5), with molecular formula C13H12N2O3S2 and molecular weight 308.03 g/mol. IUPAC: methyl 3-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of BAS 01913816
Property Insights of BAS 01913816
The XLogP value of 1.8459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01913816. With a topological polar surface area (TPSA) of 59.5 Ų, BAS 01913816 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01913816 has 0 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 01913816?
The CAS number of BAS 01913816 is 329223-98-5.
What is the molecular formula of BAS 01913816?
The molecular formula of BAS 01913816 is C13H12N2O3S2.
What is the molecular weight of BAS 01913816?
The molecular weight of BAS 01913816 is 308.03 g/mol.
Where can I buy BAS 01913816?
You can request a quote for BAS 01913816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01913816?
Yes, KEHONG BIO provides custom synthesis services for BAS 01913816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.