BAS 00918557
TL;DR: BAS 00918557 (CAS 309272-91-1) is a chemical compound with molecular formula C14H9BrN2O2S2 and molecular weight 379.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
Also Known As: BAS 00918557, 3-(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-5-bromo-1,3-dihydro-2H-indol-2-one, AB00098825-01, A2077/0087329, 5-bromo-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
| Molecular Formula | C14H9BrN2O2S2 |
|---|---|
| Molecular Weight | 379.93 g/mol |
| LogP | 2.29199 |
| Topological Polar Surface Area | 54.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.9289 |
| Heavy Atoms | 21 |
| Complexity | 956.3292 |
Chemical Identifiers
| CAS Number | 309272-91-1 |
|---|---|
| SMILES | C=CCN1C(=C(SC1=S)C2=C3C=C(C=CC3=NC2=O)Br)O |
Product Overview
BAS 00918557 (CAS 309272-91-1), with molecular formula C14H9BrN2O2S2 and molecular weight 379.93 g/mol. IUPAC: 5-bromo-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one.
Chemical Property Profile of BAS 00918557
Property Insights of BAS 00918557
The XLogP value of 2.29199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00918557. With a topological polar surface area (TPSA) of 54.59 Ų, BAS 00918557 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00918557 has 1 hydrogen bond donor(s) and 4 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 00918557?
The CAS number of BAS 00918557 is 309272-91-1.
What is the molecular formula of BAS 00918557?
The molecular formula of BAS 00918557 is C14H9BrN2O2S2.
What is the molecular weight of BAS 00918557?
The molecular weight of BAS 00918557 is 379.93 g/mol.
Where can I buy BAS 00918557?
You can request a quote for BAS 00918557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00918557?
Yes, KEHONG BIO provides custom synthesis services for BAS 00918557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.