Incanilin
TL;DR: Incanilin (CAS 31298-98-3) is a chemical compound with molecular formula C30H48O4 and molecular weight 472.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10S,13R,14R,16S,17R)-16-hydroxy-17-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: Incanilin, 16,25-Dihydroxy-20,24-epoxylanost-8-en-3-one, (10S,13R,14R,16S,17R)-16-hydroxy-17-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one, (5xi)-16beta,25-Dihydroxy-20,24-epoxylanost-8-en-3-one
| Molecular Formula | C30H48O4 |
|---|---|
| Molecular Weight | 472.36 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 472.35526 |
| Heavy Atoms | 34 |
| Complexity | 932.0 |
Chemical Identifiers
| CAS Number | 31298-98-3 |
|---|---|
| SMILES | C[C@]12CCC3=C([C@@]1(C[C@@H]([C@@H]2[C@@]4(CCC(O4)C(C)(C)O)C)O)C)CCC5[C@@]3(CCC(=O)C5(C)C)C |
| InChIKey | ZBCZXCWAUZVUEH-HPOMSTEPSA-N |
Product Overview
Incanilin (CAS 31298-98-3), with molecular formula C30H48O4 and molecular weight 472.36 g/mol. IUPAC: (10S,13R,14R,16S,17R)-16-hydroxy-17-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Incanilin
Property Insights of Incanilin
The XLogP value of 4.5 indicates that Incanilin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Incanilin. Following Lipinski's Rule of Five, Incanilin has 2 hydrogen bond donor(s) and 4 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 Incanilin?
The CAS number of Incanilin is 31298-98-3.
What is the molecular formula of Incanilin?
The molecular formula of Incanilin is C30H48O4.
What is the molecular weight of Incanilin?
The molecular weight of Incanilin is 472.36 g/mol.
Where can I buy Incanilin?
You can request a quote for Incanilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Incanilin?
Yes, KEHONG BIO provides custom synthesis services for Incanilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.