Isofetil
TL;DR: Isofetil (CAS 77828-24-1) is a chemical compound with molecular formula C23H31NO3S and molecular weight 401.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[4-(3-methylbutoxy)phenyl]carbamothioic S-acid
Also Known As: Isofetil, N,N-Di-(p-isopentyloxyphenyl)thiocarbamate, N,N-di(p-isopentyloxyphenyl)thiocarbamate, bis[4-(3-methylbutoxy)phenyl]carbamothioic S-acid, Carbamothioic acid, bis(4-(3-methylbutoxy)phenyl)-
| Molecular Formula | C23H31NO3S |
|---|---|
| Molecular Weight | 401.20 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 39.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 401.20245 |
| Heavy Atoms | 28 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 77828-24-1 |
|---|---|
| SMILES | CC(C)CCOC1=CC=C(C=C1)N(C2=CC=C(C=C2)OCCC(C)C)C(=O)S |
| InChIKey | ASFFJMBWOFFBON-UHFFFAOYSA-N |
Product Overview
Isofetil (CAS 77828-24-1), with molecular formula C23H31NO3S and molecular weight 401.20 g/mol. IUPAC: bis[4-(3-methylbutoxy)phenyl]carbamothioic S-acid.
Chemical Property Profile of Isofetil
Property Insights of Isofetil
The XLogP value of 6.7 indicates that Isofetil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.8 Ų, Isofetil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isofetil has 1 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 Isofetil?
The CAS number of Isofetil is 77828-24-1.
What is the molecular formula of Isofetil?
The molecular formula of Isofetil is C23H31NO3S.
What is the molecular weight of Isofetil?
The molecular weight of Isofetil is 401.20 g/mol.
Where can I buy Isofetil?
You can request a quote for Isofetil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isofetil?
Yes, KEHONG BIO provides custom synthesis services for Isofetil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.