ChemDiv1_009475
TL;DR: ChemDiv1_009475 (CAS 329209-24-7) is a chemical compound with molecular formula C27H33BrN2O3S and molecular weight 544.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-1-cyclohexyl-4-[(dimethylamino)methyl]-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate
Also Known As: ChemDiv1_009475, ethyl 4-[(dimethylamino)methyl]-6-bromo-1-cyclohexyl-5-hydroxy-2-(phenylthiome thyl)indole-3-carboxylate, ethyl 6-bromo-1-cyclohexyl-4-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)-1H-indole-3-carboxylate, ethyl 6-bromo-1-cyclohexyl-4-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate, ethyl 6-bromo-1-cyclohexyl-4-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
| Molecular Formula | C27H33BrN2O3S |
|---|---|
| Molecular Weight | 544.14 g/mol |
| LogP | 7.1452 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 544.1395 |
| Heavy Atoms | 34 |
| Complexity | 1154.1318 |
Chemical Identifiers
| CAS Number | 329209-24-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3CCCCC3)CSC4=CC=CC=C4 |
Product Overview
ChemDiv1_009475 (CAS 329209-24-7), with molecular formula C27H33BrN2O3S and molecular weight 544.14 g/mol. IUPAC: ethyl 6-bromo-1-cyclohexyl-4-[(dimethylamino)methyl]-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_009475
Property Insights of ChemDiv1_009475
The XLogP value of 7.1452 indicates that ChemDiv1_009475 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, ChemDiv1_009475 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_009475 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 ChemDiv1_009475?
The CAS number of ChemDiv1_009475 is 329209-24-7.
What is the molecular formula of ChemDiv1_009475?
The molecular formula of ChemDiv1_009475 is C27H33BrN2O3S.
What is the molecular weight of ChemDiv1_009475?
The molecular weight of ChemDiv1_009475 is 544.14 g/mol.
Where can I buy ChemDiv1_009475?
You can request a quote for ChemDiv1_009475 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009475?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009475 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.