A2993/0126128
TL;DR: A2993/0126128 (CAS 488716-45-6) is a chemical compound with molecular formula C26H22BrN3O3S and molecular weight 535.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate
Also Known As: A2993/0126128, ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate, ethyl 2-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-6-bromo-5-methoxy-1-phenyl-1H-indole-3-carboxylate, ETHYL 2-[(1H-1,3-BENZIMIDAZOL-2-YLSULFANYL)METHYL]-6-BROMO-5-METHOXY-1-PHENYL-1H-INDOLE-3-CARBOXYLATE, ethyl 2-[(1H-benzimidazol-2-ylsulfanyl)methyl]-6-bromo-5-methoxy-1-phenyl-1H-indole-3-carboxylate
| Molecular Formula | C26H22BrN3O3S |
|---|---|
| Molecular Weight | 535.06 g/mol |
| LogP | 6.7469 |
| Topological Polar Surface Area | 69.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 535.0565 |
| Heavy Atoms | 34 |
| Complexity | 1461.0422 |
Chemical Identifiers
| CAS Number | 488716-45-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4 |
Product Overview
A2993/0126128 (CAS 488716-45-6), with molecular formula C26H22BrN3O3S and molecular weight 535.06 g/mol. IUPAC: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate.
Chemical Property Profile of A2993/0126128
Property Insights of A2993/0126128
The XLogP value of 6.7469 indicates that A2993/0126128 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.14 Ų falls within the moderate polarity range, balancing permeability and solubility for A2993/0126128. Following Lipinski's Rule of Five, A2993/0126128 has 1 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 A2993/0126128?
The CAS number of A2993/0126128 is 488716-45-6.
What is the molecular formula of A2993/0126128?
The molecular formula of A2993/0126128 is C26H22BrN3O3S.
What is the molecular weight of A2993/0126128?
The molecular weight of A2993/0126128 is 535.06 g/mol.
Where can I buy A2993/0126128?
You can request a quote for A2993/0126128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2993/0126128?
Yes, KEHONG BIO provides custom synthesis services for A2993/0126128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.