BAS 00662210
TL;DR: BAS 00662210 (CAS 301224-29-3) is a chemical compound with molecular formula C17H17BrN2O3S and molecular weight 408.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-bromophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 00662210, 2-[2-(4-bromophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(4-bromophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C17H17BrN2O3S |
|---|---|
| Molecular Weight | 408.01 g/mol |
| LogP | 3.5058 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.01434 |
| Heavy Atoms | 24 |
| Complexity | 770.888 |
Chemical Identifiers
| CAS Number | 301224-29-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=C(C=C3)Br)C(=O)N |
Product Overview
BAS 00662210 (CAS 301224-29-3), with molecular formula C17H17BrN2O3S and molecular weight 408.01 g/mol. IUPAC: 2-[[2-(4-bromophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 00662210
Property Insights of BAS 00662210
The XLogP value of 3.5058 indicates that BAS 00662210 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00662210. Following Lipinski's Rule of Five, BAS 00662210 has 2 hydrogen bond donor(s) and 4 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 BAS 00662210?
The CAS number of BAS 00662210 is 301224-29-3.
What is the molecular formula of BAS 00662210?
The molecular formula of BAS 00662210 is C17H17BrN2O3S.
What is the molecular weight of BAS 00662210?
The molecular weight of BAS 00662210 is 408.01 g/mol.
Where can I buy BAS 00662210?
You can request a quote for BAS 00662210 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00662210?
Yes, KEHONG BIO provides custom synthesis services for BAS 00662210 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.