BAS 00379924
TL;DR: BAS 00379924 (CAS 312607-41-3) is a chemical compound with molecular formula C22H29BrN2O5S and molecular weight 512.10 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-(cyclohexylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylate
Also Known As: BAS 00379924, ethyl 2-(acetylamino)-6-bromo-7-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylate, ethyl 2-(acetylamino)-6-bromo-7-[3-(cyclohexylamino)-2-hydroxypropoxy]benzo[b] thiophene-3-carboxylate, ethyl 2-acetamido-6-bromo-7-(3-(cyclohexylamino)-2-hydroxypropoxy)benzo[b]thiophene-3-carboxylate, ethyl 2-acetamido-6-bromo-7-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H29BrN2O5S |
|---|---|
| Molecular Weight | 512.10 g/mol |
| LogP | 4.4609 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.0981 |
| Heavy Atoms | 31 |
| Complexity | 926.25226 |
Chemical Identifiers
| CAS Number | 312607-41-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(CNC3CCCCC3)O)Br)NC(=O)C |
Product Overview
BAS 00379924 (CAS 312607-41-3), with molecular formula C22H29BrN2O5S and molecular weight 512.10 g/mol. IUPAC: ethyl 2-acetamido-6-bromo-7-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00379924
Property Insights of BAS 00379924
The XLogP value of 4.4609 indicates that BAS 00379924 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 BAS 00379924. Following Lipinski's Rule of Five, BAS 00379924 has 3 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 BAS 00379924?
The CAS number of BAS 00379924 is 312607-41-3.
What is the molecular formula of BAS 00379924?
The molecular formula of BAS 00379924 is C22H29BrN2O5S.
What is the molecular weight of BAS 00379924?
The molecular weight of BAS 00379924 is 512.10 g/mol.
Where can I buy BAS 00379924?
You can request a quote for BAS 00379924 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00379924?
Yes, KEHONG BIO provides custom synthesis services for BAS 00379924 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.