C25H22ClNO3.C5H10N2O2S
TL;DR: C25H22ClNO3.C5H10N2O2S (CAS 71539-47-4) is a chemical compound with molecular formula C30H32ClN3O5S and molecular weight 581.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoate;methyl (1Z)-N-(methylcarbamoyloxy)ethanimidothioate
Also Known As: Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester mixt. with methyl N-(((methylamino)carbonyl)oxy)ethanimidothioate
| Molecular Formula | C30H32ClN3O5S |
|---|---|
| Molecular Weight | 581.18 g/mol |
| LogP | 7.71878 |
| Topological Polar Surface Area | 110.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 581.1751 |
| Heavy Atoms | 40 |
| Complexity | 1310.9244 |
Chemical Identifiers
| CAS Number | 71539-47-4 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3.C/C(=N/OC(=O)NC)/SC |
Product Overview
C25H22ClNO3.C5H10N2O2S (CAS 71539-47-4), with molecular formula C30H32ClN3O5S and molecular weight 581.18 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoate;methyl (1Z)-N-(methylcarbamoyloxy)ethanimidothioate.
Chemical Property Profile of C25H22ClNO3.C5H10N2O2S
Property Insights of C25H22ClNO3.C5H10N2O2S
The XLogP value of 7.71878 indicates that C25H22ClNO3.C5H10N2O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.01 Ų falls within the moderate polarity range, balancing permeability and solubility for C25H22ClNO3.C5H10N2O2S. Following Lipinski's Rule of Five, C25H22ClNO3.C5H10N2O2S has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H22ClNO3.C5H10N2O2S?
The CAS number of C25H22ClNO3.C5H10N2O2S is 71539-47-4.
What is the molecular formula of C25H22ClNO3.C5H10N2O2S?
The molecular formula of C25H22ClNO3.C5H10N2O2S is C30H32ClN3O5S.
What is the molecular weight of C25H22ClNO3.C5H10N2O2S?
The molecular weight of C25H22ClNO3.C5H10N2O2S is 581.18 g/mol.
Where can I buy C25H22ClNO3.C5H10N2O2S?
You can request a quote for C25H22ClNO3.C5H10N2O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H22ClNO3.C5H10N2O2S?
Yes, KEHONG BIO provides custom synthesis services for C25H22ClNO3.C5H10N2O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.