18α-甘草次酸
TL;DR: 18α-甘草次酸 (CAS 1449-05-4) is a chemical compound with molecular formula C30H46O4 and molecular weight 470.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18α-甘草次酸
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Also Known As: 18alpha-Glycyrrhetinic acid, beta-Glycyrrhetinic acid, enoxolone, 18a-glycyrrhetinic acid, 18
| Molecular Formula | C30H46O4 |
|---|---|
| Molecular Weight | 470.34 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 470.3396 |
| Heavy Atoms | 34 |
| Complexity | 965.0 |
| Melting Point | 330 - 335 °C |
Chemical Identifiers
| CAS Number | 1449-05-4 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O |
| InChIKey | MPDGHEJMBKOTSU-PMTKVOBESA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
18α-甘草次酸 (CAS 1449-05-4), with molecular formula C30H46O4 and molecular weight 470.34 g/mol. IUPAC: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid.
Chemical Property Profile of 18α-甘草次酸
Property Insights of 18α-甘草次酸
The XLogP value of 6.4 indicates that 18α-甘草次酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 18α-甘草次酸. Following Lipinski's Rule of Five, 18α-甘草次酸 has 2 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 18α-甘草次酸?
The CAS number of 18α-甘草次酸 is 1449-05-4.
What is the molecular formula of 18α-甘草次酸?
The molecular formula of 18α-甘草次酸 is C30H46O4.
What is the molecular weight of 18α-甘草次酸?
The molecular weight of 18α-甘草次酸 is 470.34 g/mol.
Where can I buy 18α-甘草次酸?
You can request a quote for 18α-甘草次酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18α-甘草次酸?
Yes, KEHONG BIO provides custom synthesis services for 18α-甘草次酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.