模绕酮酸
TL;DR: 模绕酮酸 (CAS 6713-27-5) 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.
模绕酮酸
(4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carboxylic acid
Also Known As: Moronic acid, Moronicacid, 3-Oxoolean-18-en-28-oic acid, (+)-MORONIC ACID, AMBRONIC ACID
| Molecular Formula | C30H46O3 |
|---|---|
| Molecular Weight | 454.34 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 454.3447 |
| Heavy Atoms | 33 |
| Complexity | 927.0 |
Chemical Identifiers
| CAS Number | 6713-27-5 |
|---|---|
| SMILES | C[C@@]12CC[C@]3(CCC(C=C3[C@H]1CC[C@H]4[C@]2(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)(C)C)C(=O)O |
| InChIKey | UMYJVVZWBKIXQQ-QALSDZMNSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
模绕酮酸 (CAS 6713-27-5), with molecular formula C30H46O3 and molecular weight 454.34 g/mol. IUPAC: (4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carboxylic acid.
Chemical Property Profile of 模绕酮酸
Property Insights of 模绕酮酸
The XLogP value of 7.4 indicates that 模绕酮酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 模绕酮酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 模绕酮酸 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 模绕酮酸?
The CAS number of 模绕酮酸 is 6713-27-5.
What is the molecular formula of 模绕酮酸?
The molecular formula of 模绕酮酸 is C30H46O3.
What is the molecular weight of 模绕酮酸?
The molecular weight of 模绕酮酸 is 454.34 g/mol.
Where can I buy 模绕酮酸?
You can request a quote for 模绕酮酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 模绕酮酸?
Yes, KEHONG BIO provides custom synthesis services for 模绕酮酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.