白桦脂醛
TL;DR: 白桦脂醛 (CAS 13159-28-9) is a chemical compound with molecular formula C30H48O2 and molecular weight 440.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
白桦脂醛
(1R,3aS,5aR,5bR,7aR,9S,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-carbaldehyde
Also Known As: Betulinicaldehyde, BETULINALDEHYDE, Betulinic aldehyde, Betulinal, Betulin aldehyde
| Molecular Formula | C30H48O2 |
|---|---|
| Molecular Weight | 440.37 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 440.36542 |
| Heavy Atoms | 32 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 13159-28-9 |
|---|---|
| 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 |
| InChIKey | FELCJAPFJOPHSD-ROUWMTJPSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
白桦脂醛 (CAS 13159-28-9), with molecular formula C30H48O2 and molecular weight 440.37 g/mol. IUPAC: (1R,3aS,5aR,5bR,7aR,9S,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-carbaldehyde.
Chemical Property Profile of 白桦脂醛
Property Insights of 白桦脂醛
The XLogP value of 8.1 indicates that 白桦脂醛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 白桦脂醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 白桦脂醛 has 1 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 白桦脂醛?
The CAS number of 白桦脂醛 is 13159-28-9.
What is the molecular formula of 白桦脂醛?
The molecular formula of 白桦脂醛 is C30H48O2.
What is the molecular weight of 白桦脂醛?
The molecular weight of 白桦脂醛 is 440.37 g/mol.
Where can I buy 白桦脂醛?
You can request a quote for 白桦脂醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 白桦脂醛?
Yes, KEHONG BIO provides custom synthesis services for 白桦脂醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.