Thp ether OF betulin
TL;DR: Thp ether OF betulin (CAS 59741-98-9) is a chemical compound with molecular formula C35H58O3 and molecular weight 526.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5a,5b,8,8,11a-pentamethyl-9-(oxan-2-yloxy)-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-3a-yl]methanol
Also Known As: Betulin THP ether, THP ETHER OF BETULIN, 3-[(Oxan-2-yl)oxy]lup-20(29)-en-28-ol, Lup-20(29)-en-28-ol, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-, (1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-tetrahydropyran-2-yloxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol
| Molecular Formula | C35H58O3 |
|---|---|
| Molecular Weight | 526.44 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.4386 |
| Heavy Atoms | 38 |
| Complexity | 926.0 |
Chemical Identifiers
| CAS Number | 59741-98-9 |
|---|---|
| SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC6CCCCO6)C)CO |
| InChIKey | UTPSWHVOJOBILR-UHFFFAOYSA-N |
Product Overview
Thp ether OF betulin (CAS 59741-98-9), with molecular formula C35H58O3 and molecular weight 526.44 g/mol. IUPAC: [5a,5b,8,8,11a-pentamethyl-9-(oxan-2-yloxy)-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-3a-yl]methanol.
Chemical Property Profile of Thp ether OF betulin
Property Insights of Thp ether OF betulin
The XLogP value of 9.7 indicates that Thp ether OF betulin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Thp ether OF betulin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thp ether OF betulin 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 Thp ether OF betulin?
The CAS number of Thp ether OF betulin is 59741-98-9.
What is the molecular formula of Thp ether OF betulin?
The molecular formula of Thp ether OF betulin is C35H58O3.
What is the molecular weight of Thp ether OF betulin?
The molecular weight of Thp ether OF betulin is 526.44 g/mol.
Where can I buy Thp ether OF betulin?
You can request a quote for Thp ether OF betulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thp ether OF betulin?
Yes, KEHONG BIO provides custom synthesis services for Thp ether OF betulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.