Isovouacapenol A
TL;DR: Isovouacapenol A (CAS 455255-13-7) is a chemical compound with molecular formula C27H32O4 and molecular weight 420.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aR,5R,6aR,11aS,11bR)-4a-hydroxy-4,4,11b-trimethyl-7-methylidene-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-5-yl] benzoate
Also Known As: Isovouacapenol A, J1.792.998D, (4aR,5R,6aR,11aS,11bR)-4a-hydroxy-4,4,11b-trimethyl-7-methylene-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-5-yl rel-benzoate, [(4aR,5R,6aR,11aS,11bR)-4a-hydroxy-4,4,11b-trimethyl-7-methylidene-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-5-yl] benzoate, Benzoic acid 4a-hydroxy-4,4,11b-trimethyl-7-methylene-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-10-oxa-cyclopenta[b]phenanthren-5-yl ester
| Molecular Formula | C27H32O4 |
|---|---|
| Molecular Weight | 420.23 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.23007 |
| Heavy Atoms | 31 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 455255-13-7 |
|---|---|
| SMILES | C[C@]12CCCC([C@@]1([C@@H](C[C@@H]3[C@@H]2CC4=C(C3=C)C=CO4)OC(=O)C5=CC=CC=C5)O)(C)C |
| InChIKey | CAKOAOJDETWCQH-BSMIGITPSA-N |
Product Overview
Isovouacapenol A (CAS 455255-13-7), with molecular formula C27H32O4 and molecular weight 420.23 g/mol. IUPAC: [(4aR,5R,6aR,11aS,11bR)-4a-hydroxy-4,4,11b-trimethyl-7-methylidene-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-5-yl] benzoate.
Chemical Property Profile of Isovouacapenol A
Property Insights of Isovouacapenol A
The XLogP value of 5.6 indicates that Isovouacapenol A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, Isovouacapenol A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isovouacapenol A 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 Isovouacapenol A?
The CAS number of Isovouacapenol A is 455255-13-7.
What is the molecular formula of Isovouacapenol A?
The molecular formula of Isovouacapenol A is C27H32O4.
What is the molecular weight of Isovouacapenol A?
The molecular weight of Isovouacapenol A is 420.23 g/mol.
Where can I buy Isovouacapenol A?
You can request a quote for Isovouacapenol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovouacapenol A?
Yes, KEHONG BIO provides custom synthesis services for Isovouacapenol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.