BAS 00157699
TL;DR: BAS 00157699 (CAS 301816-36-4) is a chemical compound with molecular formula C23H20Cl3N5OS and molecular weight 519.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[2,2,2-trichloro-1-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]benzamide
Also Known As: BAS 00157699, 3-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide, 3-ME-N-(2,2,2-TRICHLORO-1-(3-(4-PHENYLAZO-PHENYL)-THIOUREIDO)-ETHYL)-BENZAMIDE, 3-methyl-N-[2,2,2-trichloro-1-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]benzamide, 3-methyl-N-[2,2,2-trichloro-1-({[4-(phenyldiazenyl)anilino]carbothioyl}amino)ethyl]benzamide
| Molecular Formula | C23H20Cl3N5OS |
|---|---|
| Molecular Weight | 519.05 g/mol |
| LogP | 6.82312 |
| Topological Polar Surface Area | 77.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.0454 |
| Heavy Atoms | 33 |
| Complexity | 1134.8387 |
Chemical Identifiers
| CAS Number | 301816-36-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3 |
Product Overview
BAS 00157699 (CAS 301816-36-4), with molecular formula C23H20Cl3N5OS and molecular weight 519.05 g/mol. IUPAC: 3-methyl-N-[2,2,2-trichloro-1-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of BAS 00157699
Property Insights of BAS 00157699
The XLogP value of 6.82312 indicates that BAS 00157699 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00157699. Following Lipinski's Rule of Five, BAS 00157699 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00157699?
The CAS number of BAS 00157699 is 301816-36-4.
What is the molecular formula of BAS 00157699?
The molecular formula of BAS 00157699 is C23H20Cl3N5OS.
What is the molecular weight of BAS 00157699?
The molecular weight of BAS 00157699 is 519.05 g/mol.
Where can I buy BAS 00157699?
You can request a quote for BAS 00157699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00157699?
Yes, KEHONG BIO provides custom synthesis services for BAS 00157699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.