表白桦酸
TL;DR: 表白桦酸 (CAS 38962-86-6) is a chemical compound with molecular formula C30H48O3 and molecular weight 456.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
表白桦酸
(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Also Known As: Epibetulinic acid, betulinic acid, 3-epi-betulinic acid, 3-Epibetulinic acid, 3-epi-betulinicacid
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.36 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.36035 |
| Heavy Atoms | 33 |
| Complexity | 861.0 |
Chemical Identifiers
| CAS Number | 38962-86-6 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O |
| InChIKey | QGJZLNKBHJESQX-ULZDWRHHSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
表白桦酸 (CAS 38962-86-6), with molecular formula C30H48O3 and molecular weight 456.36 g/mol. IUPAC: (1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid.
Chemical Property Profile of 表白桦酸
Property Insights of 表白桦酸
The XLogP value of 8.2 indicates that 表白桦酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 表白桦酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 表白桦酸 has 2 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 表白桦酸?
The CAS number of 表白桦酸 is 38962-86-6.
What is the molecular formula of 表白桦酸?
The molecular formula of 表白桦酸 is C30H48O3.
What is the molecular weight of 表白桦酸?
The molecular weight of 表白桦酸 is 456.36 g/mol.
Where can I buy 表白桦酸?
You can request a quote for 表白桦酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 表白桦酸?
Yes, KEHONG BIO provides custom synthesis services for 表白桦酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.