3,4-开环木藜芦酸
TL;DR: 3,4-开环木藜芦酸 (CAS 138950-24-0) is a chemical compound with molecular formula C20H30O2 and molecular weight 302.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-开环木藜芦酸
methyl 3-[(4R,5S,6R,9R,10R)-9-methyl-4-prop-1-en-2-yl-5-tetracyclo[7.2.1.01,6.08,10]dodecanyl]propanoate
Also Known As: 3,4-Secotrachylobanoic acid, 1,2a-Methano-2aH-cyclopropa(b)naphthalene-6-propanoic acid, decahydro-1,6-dimethyl-5-(1-methylethenyl)-, (1R-(1alpha,1abeta,2aalpha,5beta,6alpha,6aalpha,7beta))-, Methyl 3-[(1R,1aR,5R,6S,6aR)-1-methyl-5-(prop-1-en-2-yl)decahydro-1,2a-methanocyclopropa[b]naphthalen-6-yl]propanoate, Methyl 3-[(4R,5S,6R,9R,10R)-9-methyl-4-prop-1-en-2-yl-5-tetracyclo[7.2.1.01,6.08,10]dodecanyl]propanoate, Methyl 3-[1-methyl-5-(prop-1-en-2-yl)decahydro-1,2a-methanocyclopropa[b]naphthalen-6-yl]propanoate
| Molecular Formula | C20H30O2 |
|---|---|
| Molecular Weight | 302.22 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.22458 |
| Heavy Atoms | 22 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 138950-24-0 |
|---|---|
| SMILES | CC(=C)[C@@H]1CCC23C[C@@H]4C([C@]4(C2)C)C[C@@H]3[C@H]1CCC(=O)OC |
| InChIKey | YQNPESKMFNFNCE-IXCCLCRESA-N |
Product Overview
3,4-开环木藜芦酸 (CAS 138950-24-0), with molecular formula C20H30O2 and molecular weight 302.22 g/mol. IUPAC: methyl 3-[(4R,5S,6R,9R,10R)-9-methyl-4-prop-1-en-2-yl-5-tetracyclo[7.2.1.01,6.08,10]dodecanyl]propanoate.
Chemical Property Profile of 3,4-开环木藜芦酸
Property Insights of 3,4-开环木藜芦酸
The XLogP value of 5.5 indicates that 3,4-开环木藜芦酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,4-开环木藜芦酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-开环木藜芦酸 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-开环木藜芦酸?
The CAS number of 3,4-开环木藜芦酸 is 138950-24-0.
What is the molecular formula of 3,4-开环木藜芦酸?
The molecular formula of 3,4-开环木藜芦酸 is C20H30O2.
What is the molecular weight of 3,4-开环木藜芦酸?
The molecular weight of 3,4-开环木藜芦酸 is 302.22 g/mol.
Where can I buy 3,4-开环木藜芦酸?
You can request a quote for 3,4-开环木藜芦酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-开环木藜芦酸?
Yes, KEHONG BIO provides custom synthesis services for 3,4-开环木藜芦酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.