蜜环酸
TL;DR: 蜜环酸 (CAS 129251-06-5) is a chemical compound with molecular formula C23H28O7 and molecular weight 416.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蜜环酸
(2R,2aS,4aS,7aS,7bR)-2-(2,4-dihydroxy-6-methylbenzoyl)oxy-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]indene-3-carboxylic acid
Also Known As: Armillaric acid, Benzoic acid 3-bromomethyl-phenyl ester, (2R,2aS,4aS,7aS,7bR)-2-(2,4-dihydroxy-6-methylbenzoyl)oxy-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]indene-3-carboxylic acid, (2R-(2alpha,2abeta,4aalpha,7aalpha,7bbeta))-2-((2,4-Dihydroxy-6-methylbenzoyl)oxy)-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-6,6,7b-trimethyl-1H-cyclobut(e)indene-3-carboxylic acid, 1H-Cyclobut(e)indene-3-carboxylic acid, 2-((2,4-dihydroxy-6-methylbenzoyl)oxy)-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-6,6,7b-trimethyl-, (2R-(2alpha,2abeta,4aalpha,7aalpha,7bbeta))-
| Molecular Formula | C23H28O7 |
|---|---|
| Molecular Weight | 416.18 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.1835 |
| Heavy Atoms | 30 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 129251-06-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@H]4[C@@H]3CC(C4)(C)C)C(=O)O)O)C)O)O |
| InChIKey | AOCKXACXCVTXBB-NJHYUGCKSA-N |
Product Overview
蜜环酸 (CAS 129251-06-5), with molecular formula C23H28O7 and molecular weight 416.18 g/mol. IUPAC: (2R,2aS,4aS,7aS,7bR)-2-(2,4-dihydroxy-6-methylbenzoyl)oxy-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]indene-3-carboxylic acid.
Chemical Property Profile of 蜜环酸
Property Insights of 蜜环酸
The XLogP value of 4.6 indicates that 蜜环酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 蜜环酸. Following Lipinski's Rule of Five, 蜜环酸 has 4 hydrogen bond donor(s) and 7 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 蜜环酸?
The CAS number of 蜜环酸 is 129251-06-5.
What is the molecular formula of 蜜环酸?
The molecular formula of 蜜环酸 is C23H28O7.
What is the molecular weight of 蜜环酸?
The molecular weight of 蜜环酸 is 416.18 g/mol.
Where can I buy 蜜环酸?
You can request a quote for 蜜环酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蜜环酸?
Yes, KEHONG BIO provides custom synthesis services for 蜜环酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.