白桦脂醇
TL;DR: 白桦脂醇 (CAS 473-98-3) is a chemical compound with molecular formula C30H50O2 and molecular weight 442.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
白桦脂醇
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-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]chrysen-9-ol
Also Known As: Betulin, Betulinol, Trochol, Betuline, Betulol
| Molecular Formula | C30H50O2 |
|---|---|
| Molecular Weight | 442.38 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.38107 |
| Heavy Atoms | 32 |
| Complexity | 786.0 |
| Melting Point | 251 - 252 °C |
| Boiling Point | 284.00 to 288.00 °C. @ 743.00 mm Hg |
Chemical Identifiers
| CAS Number | 473-98-3 |
|---|---|
| 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)CO |
| InChIKey | FVWJYYTZTCVBKE-ROUWMTJPSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
白桦脂醇 (CAS 473-98-3), with molecular formula C30H50O2 and molecular weight 442.38 g/mol. IUPAC: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-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]chrysen-9-ol.
Chemical Property Profile of 白桦脂醇
Property Insights of 白桦脂醇
The XLogP value of 8.3 indicates that 白桦脂醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 白桦脂醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 白桦脂醇 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 白桦脂醇?
The CAS number of 白桦脂醇 is 473-98-3.
What is the molecular formula of 白桦脂醇?
The molecular formula of 白桦脂醇 is C30H50O2.
What is the molecular weight of 白桦脂醇?
The molecular weight of 白桦脂醇 is 442.38 g/mol.
Where can I buy 白桦脂醇?
You can request a quote for 白桦脂醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 白桦脂醇?
Yes, KEHONG BIO provides custom synthesis services for 白桦脂醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.