Methyl helicterilate
TL;DR: Methyl helicterilate (CAS 102637-01-4) is a chemical compound with molecular formula C40H56O6 and molecular weight 632.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-6a-(benzoyloxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Methyl helicterilate, Methyl 3-(acetyloxy)-27-(benzoyloxy)olean-12-en-28-oate, methyl (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-6a-(benzoyloxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, Methyl 3beta-(acetyloxy)-27-(benzoyloxy)olean-12-en-28-oate, Olean-12-en-28-oic acid, 3-(acetyloxy)-27-(benzoyloxy)-, methyl ester, (3beta)-
| Molecular Formula | C40H56O6 |
|---|---|
| Molecular Weight | 632.41 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 632.4077 |
| Heavy Atoms | 46 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 102637-01-4 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)COC(=O)C6=CC=CC=C6)C)C |
| InChIKey | ZPQZGHAQCJAOQE-YHMSRXDCSA-N |
Product Overview
Methyl helicterilate (CAS 102637-01-4), with molecular formula C40H56O6 and molecular weight 632.41 g/mol. IUPAC: methyl (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-6a-(benzoyloxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Methyl helicterilate
Property Insights of Methyl helicterilate
The XLogP value of 9.2 indicates that Methyl helicterilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl helicterilate. Following Lipinski's Rule of Five, Methyl helicterilate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl helicterilate?
The CAS number of Methyl helicterilate is 102637-01-4.
What is the molecular formula of Methyl helicterilate?
The molecular formula of Methyl helicterilate is C40H56O6.
What is the molecular weight of Methyl helicterilate?
The molecular weight of Methyl helicterilate is 632.41 g/mol.
Where can I buy Methyl helicterilate?
You can request a quote for Methyl helicterilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl helicterilate?
Yes, KEHONG BIO provides custom synthesis services for Methyl helicterilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.