Acetyltingitanol
TL;DR: Acetyltingitanol (CAS 95263-53-9) is a chemical compound with molecular formula C27H40O7 and molecular weight 476.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-acetyloxy-3-hydroxy-6,8a-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] (E)-2-methylbut-2-enoate
Also Known As: Acetyltingitanol, Tingitanol acetate, [1-acetyloxy-3-hydroxy-6,8a-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] (E)-2-methylbut-2-enoate
| Molecular Formula | C27H40O7 |
|---|---|
| Molecular Weight | 476.28 g/mol |
| LogP | 4.4374 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.2774 |
| Heavy Atoms | 34 |
| Complexity | 911.9394 |
Chemical Identifiers
| CAS Number | 95263-53-9 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OC1CC(=CC(C2(C1C(CC2OC(=O)C)(C(C)C)O)C)OC(=O)/C(=C/C)/C)C |
Product Overview
Acetyltingitanol (CAS 95263-53-9), with molecular formula C27H40O7 and molecular weight 476.28 g/mol. IUPAC: [1-acetyloxy-3-hydroxy-6,8a-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of Acetyltingitanol
Property Insights of Acetyltingitanol
The XLogP value of 4.4374 indicates that Acetyltingitanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyltingitanol. Following Lipinski's Rule of Five, Acetyltingitanol has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetyltingitanol?
The CAS number of Acetyltingitanol is 95263-53-9.
What is the molecular formula of Acetyltingitanol?
The molecular formula of Acetyltingitanol is C27H40O7.
What is the molecular weight of Acetyltingitanol?
The molecular weight of Acetyltingitanol is 476.28 g/mol.
Where can I buy Acetyltingitanol?
You can request a quote for Acetyltingitanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyltingitanol?
Yes, KEHONG BIO provides custom synthesis services for Acetyltingitanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.