BAS 00832089
TL;DR: BAS 00832089 (CAS 312949-40-9) 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-(propanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: BAS 00832089, N-(4-bromophenyl)-2-(propanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-Propionylamino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid, N-(4-bromophenyl)-2-(propionylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-(4-BROMOPHENYL)-2-PROPANAMIDO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C19H21BrN2O2S |
|---|---|
| Molecular Weight | 420.05 g/mol |
| LogP | 5.3803 |
| 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 | 783.4669 |
Chemical Identifiers
| CAS Number | 312949-40-9 |
|---|---|
| SMILES | CCC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)NC3=CC=C(C=C3)Br |
Product Overview
BAS 00832089 (CAS 312949-40-9), with molecular formula C19H21BrN2O2S and molecular weight 420.05 g/mol. IUPAC: N-(4-bromophenyl)-2-(propanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of BAS 00832089
Property Insights of BAS 00832089
The XLogP value of 5.3803 indicates that BAS 00832089 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 00832089 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00832089 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 00832089?
The CAS number of BAS 00832089 is 312949-40-9.
What is the molecular formula of BAS 00832089?
The molecular formula of BAS 00832089 is C19H21BrN2O2S.
What is the molecular weight of BAS 00832089?
The molecular weight of BAS 00832089 is 420.05 g/mol.
Where can I buy BAS 00832089?
You can request a quote for BAS 00832089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00832089?
Yes, KEHONG BIO provides custom synthesis services for BAS 00832089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.