二氢桦木酸
TL;DR: 二氢桦木酸 (CAS 25488-53-3) is a chemical compound with molecular formula C30H50O3 and molecular weight 458.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氢桦木酸
(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-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: Dihydrobetulinic acid, Triterpenoid, betulinic acid, Dihydrobetulic acid, (3beta)-3-Hydroxylupan-28-oic acid
| Molecular Formula | C30H50O3 |
|---|---|
| Molecular Weight | 458.38 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 458.376 |
| Heavy Atoms | 33 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 25488-53-3 |
|---|---|
| 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 | PZXJOHSZQAEJFE-FZFNOLFKSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氢桦木酸 (CAS 25488-53-3), with molecular formula C30H50O3 and molecular weight 458.38 g/mol. IUPAC: (1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-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 二氢桦木酸
Property Insights of 二氢桦木酸
The XLogP value of 8.3 indicates that 二氢桦木酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 二氢桦木酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氢桦木酸 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 二氢桦木酸?
The CAS number of 二氢桦木酸 is 25488-53-3.
What is the molecular formula of 二氢桦木酸?
The molecular formula of 二氢桦木酸 is C30H50O3.
What is the molecular weight of 二氢桦木酸?
The molecular weight of 二氢桦木酸 is 458.38 g/mol.
Where can I buy 二氢桦木酸?
You can request a quote for 二氢桦木酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氢桦木酸?
Yes, KEHONG BIO provides custom synthesis services for 二氢桦木酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.