乳香二烯酮酸
TL;DR: 乳香二烯酮酸 (CAS 514-49-8) is a chemical compound with molecular formula C30H46O3 and molecular weight 454.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乳香二烯酮酸
(E)-2-methyl-6-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-2-enoic acid
Also Known As: Masticadienonic acid, Terebinthone, 3-oxolanosta-7,24-dien-26-oic acid, 3-Oxotirucalla-7,24-dien-26-oic acid, (E)-2-methyl-6-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-2-enoic acid
| Molecular Formula | C30H46O3 |
|---|---|
| Molecular Weight | 454.34 g/mol |
| LogP | 7.6079 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.3447 |
| Heavy Atoms | 33 |
| Complexity | 894.2178 |
Chemical Identifiers
| CAS Number | 514-49-8 |
|---|---|
| SMILES | CC(CC/C=C(\C)/C(=O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C |
Product Overview
乳香二烯酮酸 (CAS 514-49-8), with molecular formula C30H46O3 and molecular weight 454.34 g/mol. IUPAC: (E)-2-methyl-6-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-2-enoic acid.
Chemical Property Profile of 乳香二烯酮酸
Property Insights of 乳香二烯酮酸
The XLogP value of 7.6079 indicates that 乳香二烯酮酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 乳香二烯酮酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乳香二烯酮酸 has 1 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 乳香二烯酮酸?
The CAS number of 乳香二烯酮酸 is 514-49-8.
What is the molecular formula of 乳香二烯酮酸?
The molecular formula of 乳香二烯酮酸 is C30H46O3.
What is the molecular weight of 乳香二烯酮酸?
The molecular weight of 乳香二烯酮酸 is 454.34 g/mol.
Where can I buy 乳香二烯酮酸?
You can request a quote for 乳香二烯酮酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乳香二烯酮酸?
Yes, KEHONG BIO provides custom synthesis services for 乳香二烯酮酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.