BAS 00670266
TL;DR: BAS 00670266 (CAS 299950-98-4) is a chemical compound with molecular formula C21H23Cl2NO4S and molecular weight 455.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00670266, ethyl 2-{[4-(2,4-dichlorophenoxy)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(4-(2,4-dichlorophenoxy)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H23Cl2NO4S |
|---|---|
| Molecular Weight | 455.07 g/mol |
| LogP | 5.9081 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.07248 |
| Heavy Atoms | 29 |
| Complexity | 897.0465 |
Chemical Identifiers
| CAS Number | 299950-98-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl |
Product Overview
BAS 00670266 (CAS 299950-98-4), with molecular formula C21H23Cl2NO4S and molecular weight 455.07 g/mol. IUPAC: ethyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00670266
Property Insights of BAS 00670266
The XLogP value of 5.9081 indicates that BAS 00670266 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00670266. Following Lipinski's Rule of Five, BAS 00670266 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 BAS 00670266?
The CAS number of BAS 00670266 is 299950-98-4.
What is the molecular formula of BAS 00670266?
The molecular formula of BAS 00670266 is C21H23Cl2NO4S.
What is the molecular weight of BAS 00670266?
The molecular weight of BAS 00670266 is 455.07 g/mol.
Where can I buy BAS 00670266?
You can request a quote for BAS 00670266 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00670266?
Yes, KEHONG BIO provides custom synthesis services for BAS 00670266 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.