ChemDiv1_002071
TL;DR: ChemDiv1_002071 (CAS 307525-46-8) is a chemical compound with molecular formula C18H11BrN2O3S2 and molecular weight 445.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
Also Known As: ChemDiv1_002071, BAS 00556030, (Z)-5-(5-bromo-2-oxoindolin-3-ylidene)-3-(4-methoxyphenyl)-2-thioxothiazolidin-4-one, AF-399/32479045, F0206-0346
| Molecular Formula | C18H11BrN2O3S2 |
|---|---|
| Molecular Weight | 445.94 g/mol |
| LogP | 3.10379 |
| Topological Polar Surface Area | 63.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.93945 |
| Heavy Atoms | 26 |
| Complexity | 1226.8026 |
Chemical Identifiers
| CAS Number | 307525-46-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=C(SC2=S)C3=C4C=C(C=CC4=NC3=O)Br)O |
Product Overview
ChemDiv1_002071 (CAS 307525-46-8), with molecular formula C18H11BrN2O3S2 and molecular weight 445.94 g/mol. IUPAC: 5-bromo-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
Chemical Property Profile of ChemDiv1_002071
Property Insights of ChemDiv1_002071
The XLogP value of 3.10379 indicates that ChemDiv1_002071 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002071. Following Lipinski's Rule of Five, ChemDiv1_002071 has 1 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 ChemDiv1_002071?
The CAS number of ChemDiv1_002071 is 307525-46-8.
What is the molecular formula of ChemDiv1_002071?
The molecular formula of ChemDiv1_002071 is C18H11BrN2O3S2.
What is the molecular weight of ChemDiv1_002071?
The molecular weight of ChemDiv1_002071 is 445.94 g/mol.
Where can I buy ChemDiv1_002071?
You can request a quote for ChemDiv1_002071 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002071?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.