BAS 00311455
TL;DR: BAS 00311455 (CAS 88461-75-0) is a chemical compound with molecular formula C25H22BrNO5S and molecular weight 527.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(bromomethyl)-5-(4-methylphenyl)sulfonyloxy-1-phenylindole-3-carboxylate
Also Known As: BAS 00311455, ethyl 2-(bromomethyl)-5-{[(4-methylphenyl)sulfonyl]oxy}-1-phenyl-1H-indole-3-carboxylate, ethyl 2-(bromomethyl)-5-(4-methylphenyl)sulfonyloxy-1-phenylindole-3-carboxylate, ethyl 2-(bromomethyl)-5-[(4-methylbenzenesulfonyl)oxy]-1-phenyl-1H-indole-3-carboxylate, ethyl 2-(bromomethyl)-1-phenyl-5-(p-tolylsulfonyloxy)indole-3-carboxylate
| Molecular Formula | C25H22BrNO5S |
|---|---|
| Molecular Weight | 527.04 g/mol |
| LogP | 5.77822 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 527.0402 |
| Heavy Atoms | 33 |
| Complexity | 1410.967 |
Chemical Identifiers
| CAS Number | 88461-75-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)CBr |
Product Overview
BAS 00311455 (CAS 88461-75-0), with molecular formula C25H22BrNO5S and molecular weight 527.04 g/mol. IUPAC: ethyl 2-(bromomethyl)-5-(4-methylphenyl)sulfonyloxy-1-phenylindole-3-carboxylate.
Chemical Property Profile of BAS 00311455
Property Insights of BAS 00311455
The XLogP value of 5.77822 indicates that BAS 00311455 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00311455. Following Lipinski's Rule of Five, BAS 00311455 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00311455?
The CAS number of BAS 00311455 is 88461-75-0.
What is the molecular formula of BAS 00311455?
The molecular formula of BAS 00311455 is C25H22BrNO5S.
What is the molecular weight of BAS 00311455?
The molecular weight of BAS 00311455 is 527.04 g/mol.
Where can I buy BAS 00311455?
You can request a quote for BAS 00311455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00311455?
Yes, KEHONG BIO provides custom synthesis services for BAS 00311455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.