AB00092397-01
TL;DR: AB00092397-01 (CAS 5664-36-8) is a chemical compound with molecular formula C14H12BrNO4S2 and molecular weight 400.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-bromo-2-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
Also Known As: AB00092397-01, ethyl 2-[4-bromo-2-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate, ETHYL 2-[4-BROMO-2-[(E)-(4-OXO-2-SULFANYLIDENE-THIAZOLIDIN-5-YLIDENE)METHYL]PHENOXY]ACETATE
| Molecular Formula | C14H12BrNO4S2 |
|---|---|
| Molecular Weight | 400.94 g/mol |
| LogP | 2.8798 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.93912 |
| Heavy Atoms | 22 |
| Complexity | 660.243 |
Chemical Identifiers
| CAS Number | 5664-36-8 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)Br)/C=C/2\C(=O)NC(=S)S2 |
Product Overview
AB00092397-01 (CAS 5664-36-8), with molecular formula C14H12BrNO4S2 and molecular weight 400.94 g/mol. IUPAC: ethyl 2-[4-bromo-2-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate.
Chemical Property Profile of AB00092397-01
Property Insights of AB00092397-01
The XLogP value of 2.8798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00092397-01. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00092397-01. Following Lipinski's Rule of Five, AB00092397-01 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 AB00092397-01?
The CAS number of AB00092397-01 is 5664-36-8.
What is the molecular formula of AB00092397-01?
The molecular formula of AB00092397-01 is C14H12BrNO4S2.
What is the molecular weight of AB00092397-01?
The molecular weight of AB00092397-01 is 400.94 g/mol.
Where can I buy AB00092397-01?
You can request a quote for AB00092397-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00092397-01?
Yes, KEHONG BIO provides custom synthesis services for AB00092397-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.