ChemDiv2_003643
TL;DR: ChemDiv2_003643 (CAS 331760-73-7) is a chemical compound with molecular formula C20H27BrN2O5S and molecular weight 486.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-6-bromo-7-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv2_003643, BAS 01022628, IDI1_002358, ethyl 2-(acetylamino)-6-bromo-7-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylate, ETHYL 6-BROMO-7-[3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY]-2-ACETAMIDO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C20H27BrN2O5S |
|---|---|
| Molecular Weight | 486.08 g/mol |
| LogP | 3.9267 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.0824 |
| Heavy Atoms | 29 |
| Complexity | 891.1044 |
Chemical Identifiers
| CAS Number | 331760-73-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(CNC(C)(C)C)O)Br)NC(=O)C |
Product Overview
ChemDiv2_003643 (CAS 331760-73-7), with molecular formula C20H27BrN2O5S and molecular weight 486.08 g/mol. IUPAC: ethyl 2-acetamido-6-bromo-7-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv2_003643
Property Insights of ChemDiv2_003643
The XLogP value of 3.9267 indicates that ChemDiv2_003643 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003643. Following Lipinski's Rule of Five, ChemDiv2_003643 has 3 hydrogen bond donor(s) and 7 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 ChemDiv2_003643?
The CAS number of ChemDiv2_003643 is 331760-73-7.
What is the molecular formula of ChemDiv2_003643?
The molecular formula of ChemDiv2_003643 is C20H27BrN2O5S.
What is the molecular weight of ChemDiv2_003643?
The molecular weight of ChemDiv2_003643 is 486.08 g/mol.
Where can I buy ChemDiv2_003643?
You can request a quote for ChemDiv2_003643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003643?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.