BAS 00795883
TL;DR: BAS 00795883 (CAS 333358-98-8) is a chemical compound with molecular formula C19H21BrN2O2S and molecular weight 420.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 00795883, N-(4-bromophenyl)-2-isobutyramido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, N-(4-bromophenyl)-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(4-bromophenyl)-2-[(2-methylpropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C19H21BrN2O2S |
|---|---|
| Molecular Weight | 420.05 g/mol |
| LogP | 5.2362 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.05072 |
| Heavy Atoms | 25 |
| Complexity | 796.5006 |
Chemical Identifiers
| CAS Number | 333358-98-8 |
|---|---|
| SMILES | CC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NC3=CC=C(C=C3)Br |
Product Overview
BAS 00795883 (CAS 333358-98-8), with molecular formula C19H21BrN2O2S and molecular weight 420.05 g/mol. IUPAC: N-(4-bromophenyl)-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 00795883
Property Insights of BAS 00795883
The XLogP value of 5.2362 indicates that BAS 00795883 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, BAS 00795883 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00795883 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00795883?
The CAS number of BAS 00795883 is 333358-98-8.
What is the molecular formula of BAS 00795883?
The molecular formula of BAS 00795883 is C19H21BrN2O2S.
What is the molecular weight of BAS 00795883?
The molecular weight of BAS 00795883 is 420.05 g/mol.
Where can I buy BAS 00795883?
You can request a quote for BAS 00795883 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00795883?
Yes, KEHONG BIO provides custom synthesis services for BAS 00795883 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.