(1RS, cis(E))-Isokad
TL;DR: (1RS, cis(E))-Isokad (CAS 71327-79-2) is a chemical compound with molecular formula C23H24O4S and molecular weight 396.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(5-benzylfuran-3-yl)methyl (1S,3R)-2,2-dimethyl-3-[(Z)-(2-oxothiolan-3-ylidene)methyl]cyclopropane-1-carboxylate
Also Known As: (1RS, cis(E))-Isokad, KADETHRIN, Cyclopropanecarboxylic acid, 3-((dihydro-2-oxo-3(2H)-thienylidene)methyl)-2,2-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1-alpha,3-alpha(Z))-(+-)-, (5-benzylfuran-3-yl)methyl (1S,3R)-2,2-dimethyl-3-[(Z)-(2-oxothiolan-3-ylidene)methyl]cyclopropane-1-carboxylate, RefChem:1049479
| Molecular Formula | C23H24O4S |
|---|---|
| Molecular Weight | 396.14 g/mol |
| LogP | 4.7757 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.13953 |
| Heavy Atoms | 28 |
| Complexity | 909.69336 |
Chemical Identifiers
| CAS Number | 71327-79-2 |
|---|---|
| SMILES | CC1([C@@H]([C@@H]1C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)/C=C\4/CCSC4=O)C |
Product Overview
(1RS, cis(E))-Isokad (CAS 71327-79-2), with molecular formula C23H24O4S and molecular weight 396.14 g/mol. IUPAC: trans-(5-benzylfuran-3-yl)methyl (1S,3R)-2,2-dimethyl-3-[(Z)-(2-oxothiolan-3-ylidene)methyl]cyclopropane-1-carboxylate.
Chemical Property Profile of (1RS, cis(E))-Isokad
Property Insights of (1RS, cis(E))-Isokad
The XLogP value of 4.7757 indicates that (1RS, cis(E))-Isokad is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, (1RS, cis(E))-Isokad exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1RS, cis(E))-Isokad has 0 hydrogen bond donor(s) and 5 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 (1RS, cis(E))-Isokad?
The CAS number of (1RS, cis(E))-Isokad is 71327-79-2.
What is the molecular formula of (1RS, cis(E))-Isokad?
The molecular formula of (1RS, cis(E))-Isokad is C23H24O4S.
What is the molecular weight of (1RS, cis(E))-Isokad?
The molecular weight of (1RS, cis(E))-Isokad is 396.14 g/mol.
Where can I buy (1RS, cis(E))-Isokad?
You can request a quote for (1RS, cis(E))-Isokad directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1RS, cis(E))-Isokad?
Yes, KEHONG BIO provides custom synthesis services for (1RS, cis(E))-Isokad and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.