AB00111246-01
TL;DR: AB00111246-01 (CAS 429644-00-8) is a chemical compound with molecular formula C18H19NO3S2 and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
Also Known As: AB00111246-01, isopropyl 3-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-enylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoate, isopropyl 3-((Z)-4-oxo-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-3-yl)propanoate, methylethyl 3-[5-((2E)-3-phenylprop-2-enylidene)-4-oxo-2-thioxo-1,3-thiazolidi n-3-yl]propanoate, PROPAN-2-YL 3-[(5Z)-4-OXO-5-[(2E)-3-PHENYLPROP-2-EN-1-YLIDENE]-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANOATE
| Molecular Formula | C18H19NO3S2 |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | 3.7857 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.08063 |
| Heavy Atoms | 24 |
| Complexity | 680.7641 |
Chemical Identifiers
| CAS Number | 429644-00-8 |
|---|---|
| SMILES | CC(C)OC(=O)CCN1C(=O)/C(=C/C=C/C2=CC=CC=C2)/SC1=S |
Product Overview
AB00111246-01 (CAS 429644-00-8), with molecular formula C18H19NO3S2 and molecular weight 361.08 g/mol. IUPAC: propan-2-yl 3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of AB00111246-01
Property Insights of AB00111246-01
The XLogP value of 3.7857 indicates that AB00111246-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, AB00111246-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00111246-01 has 0 hydrogen bond donor(s) and 5 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 AB00111246-01?
The CAS number of AB00111246-01 is 429644-00-8.
What is the molecular formula of AB00111246-01?
The molecular formula of AB00111246-01 is C18H19NO3S2.
What is the molecular weight of AB00111246-01?
The molecular weight of AB00111246-01 is 361.08 g/mol.
Where can I buy AB00111246-01?
You can request a quote for AB00111246-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111246-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111246-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.