AB00105541-01
TL;DR: AB00105541-01 (CAS 367458-58-0) is a chemical compound with molecular formula C15H12BrNO4S and molecular weight 380.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
Also Known As: AB00105541-01, (5Z)-5-[(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione, (5Z)-5-[2-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-methyl-1,3-thiazolidine-2,4-dione, 5-[2-bromo-5-methoxy-4-(2-propyn-1-yloxy)benzylidene]-3-methyl-1,3-thiazolidine-2,4-dione
| Molecular Formula | C15H12BrNO4S |
|---|---|
| Molecular Weight | 380.97 g/mol |
| LogP | 3.1358 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.96704 |
| Heavy Atoms | 22 |
| Complexity | 708.2294 |
Chemical Identifiers
| CAS Number | 367458-58-0 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC(=C(C=C2Br)OCC#C)OC)/SC1=O |
Product Overview
AB00105541-01 (CAS 367458-58-0), with molecular formula C15H12BrNO4S and molecular weight 380.97 g/mol. IUPAC: (5Z)-5-[(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AB00105541-01
Property Insights of AB00105541-01
The XLogP value of 3.1358 indicates that AB00105541-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, AB00105541-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00105541-01 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 AB00105541-01?
The CAS number of AB00105541-01 is 367458-58-0.
What is the molecular formula of AB00105541-01?
The molecular formula of AB00105541-01 is C15H12BrNO4S.
What is the molecular weight of AB00105541-01?
The molecular weight of AB00105541-01 is 380.97 g/mol.
Where can I buy AB00105541-01?
You can request a quote for AB00105541-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105541-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105541-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.