BIM-0031628.P001
TL;DR: BIM-0031628.P001 (CAS 303062-50-2) is a chemical compound with molecular formula C23H22Cl3N3O4S and molecular weight 541.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]benzamide
Also Known As: BIM-0031628.P001, 3,4,5-trimethoxy-N-(2,2,2-trichloro-1-{[(1-naphthylamino)carbonothioyl]amino}ethyl)benzamide, 3,4,5-TRIMETHOXY-N-(2,2,2-TRICHLORO-1-{[(1-NAPHTHYLAMINO)CARBOTHIOYL]AMINO}ETHYL)BENZAMIDE, 3,4,5-trimethoxy-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]benzamide, 3,4,5-Trimethoxy-N-(2,2,2-trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)benzamide
| Molecular Formula | C23H22Cl3N3O4S |
|---|---|
| Molecular Weight | 541.04 g/mol |
| LogP | 5.2783 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 541.0397 |
| Heavy Atoms | 34 |
| Complexity | 1173.2842 |
Chemical Identifiers
| CAS Number | 303062-50-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=CC=CC=C32 |
Product Overview
BIM-0031628.P001 (CAS 303062-50-2), with molecular formula C23H22Cl3N3O4S and molecular weight 541.04 g/mol. IUPAC: 3,4,5-trimethoxy-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]benzamide.
Chemical Property Profile of BIM-0031628.P001
Property Insights of BIM-0031628.P001
The XLogP value of 5.2783 indicates that BIM-0031628.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0031628.P001. Following Lipinski's Rule of Five, BIM-0031628.P001 has 3 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 BIM-0031628.P001?
The CAS number of BIM-0031628.P001 is 303062-50-2.
What is the molecular formula of BIM-0031628.P001?
The molecular formula of BIM-0031628.P001 is C23H22Cl3N3O4S.
What is the molecular weight of BIM-0031628.P001?
The molecular weight of BIM-0031628.P001 is 541.04 g/mol.
Where can I buy BIM-0031628.P001?
You can request a quote for BIM-0031628.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0031628.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0031628.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.