ChemDiv1_011416
TL;DR: ChemDiv1_011416 (CAS 317840-75-8) is a chemical compound with molecular formula C25H26BrN3O4S and molecular weight 543.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxy-6-bromo-2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanylmethyl]-1-methylindole-3-carboxylate
Also Known As: ChemDiv1_011416, A1848/0077781, ethyl 5-(acetyloxy)-6-bromo-2-({[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl}methyl)-1-methyl-1H-indole-3-carboxylate, ethyl 5-(acetyloxy)-6-bromo-2-{[(3-cyano-6-isobutyl-2-pyridinyl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate, ETHYL 5-(ACETYLOXY)-6-BROMO-2-{[(3-CYANO-6-ISOBUTYL-2-PYRIDYL)SULFANYL]METHYL}-1-METHYL-1H-INDOLE-3-CARBOXYLATE
| Molecular Formula | C25H26BrN3O4S |
|---|---|
| Molecular Weight | 543.08 g/mol |
| LogP | 5.80028 |
| Topological Polar Surface Area | 94.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 543.08276 |
| Heavy Atoms | 34 |
| Complexity | 1293.7783 |
Chemical Identifiers
| CAS Number | 317840-75-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C=CC(=N3)CC(C)C)C#N |
Product Overview
ChemDiv1_011416 (CAS 317840-75-8), with molecular formula C25H26BrN3O4S and molecular weight 543.08 g/mol. IUPAC: ethyl 5-acetyloxy-6-bromo-2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanylmethyl]-1-methylindole-3-carboxylate.
Chemical Property Profile of ChemDiv1_011416
Property Insights of ChemDiv1_011416
The XLogP value of 5.80028 indicates that ChemDiv1_011416 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011416. Following Lipinski's Rule of Five, ChemDiv1_011416 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_011416?
The CAS number of ChemDiv1_011416 is 317840-75-8.
What is the molecular formula of ChemDiv1_011416?
The molecular formula of ChemDiv1_011416 is C25H26BrN3O4S.
What is the molecular weight of ChemDiv1_011416?
The molecular weight of ChemDiv1_011416 is 543.08 g/mol.
Where can I buy ChemDiv1_011416?
You can request a quote for ChemDiv1_011416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011416?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.