Thp ether OF methyl betulinate
TL;DR: Thp ether OF methyl betulinate (CAS 59741-97-8) is a chemical compound with molecular formula C36H58O4 and molecular weight 554.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 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]chrysene-3a-carboxylate
Also Known As: THP ETHER OF METHYL BETULINATE, Methyl 3-[(oxan-2-yl)oxy]lup-20(29)-en-28-oate, methyl 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]chrysene-3a-carboxylate
| Molecular Formula | C36H58O4 |
|---|---|
| Molecular Weight | 554.43 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 554.43353 |
| Heavy Atoms | 40 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 59741-97-8 |
|---|---|
| SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC6CCCCO6)C)C(=O)OC |
| InChIKey | ROLHXCRUHPICIT-UHFFFAOYSA-N |
Product Overview
Thp ether OF methyl betulinate (CAS 59741-97-8), with molecular formula C36H58O4 and molecular weight 554.43 g/mol. IUPAC: methyl 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]chrysene-3a-carboxylate.
Chemical Property Profile of Thp ether OF methyl betulinate
Property Insights of Thp ether OF methyl betulinate
The XLogP value of 9.9 indicates that Thp ether OF methyl betulinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Thp ether OF methyl betulinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thp ether OF methyl betulinate has 0 hydrogen bond donor(s) and 4 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 methyl betulinate?
The CAS number of Thp ether OF methyl betulinate is 59741-97-8.
What is the molecular formula of Thp ether OF methyl betulinate?
The molecular formula of Thp ether OF methyl betulinate is C36H58O4.
What is the molecular weight of Thp ether OF methyl betulinate?
The molecular weight of Thp ether OF methyl betulinate is 554.43 g/mol.
Where can I buy Thp ether OF methyl betulinate?
You can request a quote for Thp ether OF methyl betulinate 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 methyl betulinate?
Yes, KEHONG BIO provides custom synthesis services for Thp ether OF methyl betulinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.