Vespertilin
TL;DR: Vespertilin (CAS 33282-87-0) is a chemical compound with molecular formula C22H32O3 and molecular weight 344.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,7S,8R,9S,12S,13R,16S)-16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-one
Also Known As: Vespertilin, (1S,2S,4S,7S,8R,9S,12S,13R,16S)-16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-one, (20S)-3beta,16beta-Dihydroxypregn-5-ene-20-carboxylic acid gamma-lactone, (20S)-3beta-Hydroxy-20-methyl-16beta,17alpha-16,21-epoxypregn-5-en-21-one, Pregn-5-ene-20-carboxylicacid,3,16-dihydroxy-,g-lactone,(3b,16b,20s)-(9ci)
| Molecular Formula | C22H32O3 |
|---|---|
| Molecular Weight | 344.24 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 344.23514 |
| Heavy Atoms | 25 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 33282-87-0 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)OC1=O |
| InChIKey | NROZBIHZZUIGDJ-VEVNUCLGSA-N |
Product Overview
Vespertilin (CAS 33282-87-0), with molecular formula C22H32O3 and molecular weight 344.24 g/mol. IUPAC: (1S,2S,4S,7S,8R,9S,12S,13R,16S)-16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-one.
Chemical Property Profile of Vespertilin
Property Insights of Vespertilin
The XLogP value of 4.3 indicates that Vespertilin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Vespertilin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vespertilin has 1 hydrogen bond donor(s) and 3 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 Vespertilin?
The CAS number of Vespertilin is 33282-87-0.
What is the molecular formula of Vespertilin?
The molecular formula of Vespertilin is C22H32O3.
What is the molecular weight of Vespertilin?
The molecular weight of Vespertilin is 344.24 g/mol.
Where can I buy Vespertilin?
You can request a quote for Vespertilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vespertilin?
Yes, KEHONG BIO provides custom synthesis services for Vespertilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.