Methyl vinhaticoate
TL;DR: Methyl vinhaticoate (CAS 4614-52-2) is a chemical compound with molecular formula C21H22O3 and molecular weight 322.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4aS,6aS,11aS)-8,9,11b-trimethyl-6a,11a-dihydro-4aH-naphtho[2,1-f][1]benzofuran-4-carboxylate
Also Known As: Methyl vinhaticoate, Phosphoric acid, monooctadecyl ester, zinc salt (1:1), Methyl 1,2,3,4abeta,5,6,6aalpha,7,11,11abeta,11b-dodecahydro-4alpha,7beta,11balpha-trimethylphenanthro(3,2-b)furan-4-carboxylate, Phenanthro(3,2-b)furan-4-carboxylic acid, 1,2,3,4abeta,5,6,6aalpha,7,11,11abeta,11b-dodecahydro-4alpha,7beta,11balpha-trimethyl-, methyl ester, Methyl 8,9,11b-trimethyl-4a,6a,11a,11b-tetrahydrophenanthro[3,2-b]furan-4-carboxylate
| Molecular Formula | C21H22O3 |
|---|---|
| Molecular Weight | 322.16 g/mol |
| LogP | 2.56494 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.1569 |
| Heavy Atoms | 24 |
| Complexity | 925.02057 |
Chemical Identifiers
| CAS Number | 4614-52-2 |
|---|---|
| SMILES | CC1=C(OC2=C[C@@H]3[C@@H](C=C[C@H]4C3(C=CC=C4C(=O)OC)C)C=C12)C |
Product Overview
Methyl vinhaticoate (CAS 4614-52-2), with molecular formula C21H22O3 and molecular weight 322.16 g/mol. IUPAC: methyl (4aS,6aS,11aS)-8,9,11b-trimethyl-6a,11a-dihydro-4aH-naphtho[2,1-f][1]benzofuran-4-carboxylate.
Chemical Property Profile of Methyl vinhaticoate
Property Insights of Methyl vinhaticoate
The XLogP value of 2.56494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl vinhaticoate. With a topological polar surface area (TPSA) of 39.44 Ų, Methyl vinhaticoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl vinhaticoate has 0 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 Methyl vinhaticoate?
The CAS number of Methyl vinhaticoate is 4614-52-2.
What is the molecular formula of Methyl vinhaticoate?
The molecular formula of Methyl vinhaticoate is C21H22O3.
What is the molecular weight of Methyl vinhaticoate?
The molecular weight of Methyl vinhaticoate is 322.16 g/mol.
Where can I buy Methyl vinhaticoate?
You can request a quote for Methyl vinhaticoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl vinhaticoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl vinhaticoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.