BIM-0046794.P001
TL;DR: BIM-0046794.P001 (CAS 6131-71-1) is a chemical compound with molecular formula C14H17BrCl3N3OS and molecular weight 458.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-methylbutanamide
Also Known As: BIM-0046794.P001, N-[1-({[(3-bromophenyl)amino]carbonothioyl}amino)-2,2,2-trichloroethyl]-3-methylbutanamide, N-(1-{[(3-Bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-methylbutanamide, N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-methylbutanamide
| Molecular Formula | C14H17BrCl3N3OS |
|---|---|
| Molecular Weight | 458.93 g/mol |
| LogP | 4.5941 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.93414 |
| Heavy Atoms | 23 |
| Complexity | 566.4436 |
Chemical Identifiers
| CAS Number | 6131-71-1 |
|---|---|
| SMILES | CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC(=CC=C1)Br |
Product Overview
BIM-0046794.P001 (CAS 6131-71-1), with molecular formula C14H17BrCl3N3OS and molecular weight 458.93 g/mol. IUPAC: N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-methylbutanamide.
Chemical Property Profile of BIM-0046794.P001
Property Insights of BIM-0046794.P001
The XLogP value of 4.5941 indicates that BIM-0046794.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, BIM-0046794.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0046794.P001 has 3 hydrogen bond donor(s) and 2 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 BIM-0046794.P001?
The CAS number of BIM-0046794.P001 is 6131-71-1.
What is the molecular formula of BIM-0046794.P001?
The molecular formula of BIM-0046794.P001 is C14H17BrCl3N3OS.
What is the molecular weight of BIM-0046794.P001?
The molecular weight of BIM-0046794.P001 is 458.93 g/mol.
Where can I buy BIM-0046794.P001?
You can request a quote for BIM-0046794.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0046794.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0046794.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.