AB00102625-01
TL;DR: AB00102625-01 (CAS 6107-04-6) is a chemical compound with molecular formula C13H13NO3S3 and molecular weight 327.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate
Also Known As: AB00102625-01, (E)-ethyl 3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanoate, F0768-0045, ethyl 3-[4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]propanoate, ethyl 3-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C13H13NO3S3 |
|---|---|
| Molecular Weight | 327.01 g/mol |
| LogP | 2.9025 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.00577 |
| Heavy Atoms | 20 |
| Complexity | 551.2174 |
Chemical Identifiers
| CAS Number | 6107-04-6 |
|---|---|
| SMILES | CCOC(=O)CCN1C(=O)/C(=C\C2=CC=CS2)/SC1=S |
Product Overview
AB00102625-01 (CAS 6107-04-6), with molecular formula C13H13NO3S3 and molecular weight 327.01 g/mol. IUPAC: ethyl 3-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of AB00102625-01
Property Insights of AB00102625-01
The XLogP value of 2.9025 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00102625-01. With a topological polar surface area (TPSA) of 46.61 Ų, AB00102625-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00102625-01 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 AB00102625-01?
The CAS number of AB00102625-01 is 6107-04-6.
What is the molecular formula of AB00102625-01?
The molecular formula of AB00102625-01 is C13H13NO3S3.
What is the molecular weight of AB00102625-01?
The molecular weight of AB00102625-01 is 327.01 g/mol.
Where can I buy AB00102625-01?
You can request a quote for AB00102625-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00102625-01?
Yes, KEHONG BIO provides custom synthesis services for AB00102625-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.