Angasiol acetate
TL;DR: Angasiol acetate (CAS 123967-75-9) is a chemical compound with molecular formula C22H32Br2O4 and molecular weight 518.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-1-[(9-bromo-6-methyl-10-oxo-11-oxatricyclo[4.3.2.01,5]undecan-4-yl)methyl]-3,3-dimethylcyclohexyl] acetate
Also Known As: Angasiol acetate, [4-bromo-1-[(9-bromo-6-methyl-10-oxo-11-oxatricyclo[4.3.2.01,5]undecan-4-yl)methyl]-3,3-dimethylcyclohexyl] acetate, 4-bromo-1-{[4-bromo-7-methyl-9-oxooctahydro-7,3a-(epoxymethano)inden-1-yl]methyl}-3,3-dimethylcyclohexyl acetate, 7,3a-(Epoxymethano)-3aH-inden-9-one, 1-((1-(acetyloxy)-4-bromo-3,3-dimethylcyclohexyl)methyl)-4-bromooctahydro-7-methyl-, (1S-(1alpha(1R*,4R*),3abeta,4beta,7beta,7aalpha))-, RefChem:112666
| Molecular Formula | C22H32Br2O4 |
|---|---|
| Molecular Weight | 518.07 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.0667 |
| Heavy Atoms | 28 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 123967-75-9 |
|---|---|
| SMILES | CC(=O)OC1(CCC(C(C1)(C)C)Br)CC2CCC34C2C(CCC3Br)(OC4=O)C |
| InChIKey | SJYSXOUMHQMJSR-UHFFFAOYSA-N |
Product Overview
Angasiol acetate (CAS 123967-75-9), with molecular formula C22H32Br2O4 and molecular weight 518.07 g/mol. IUPAC: [4-bromo-1-[(9-bromo-6-methyl-10-oxo-11-oxatricyclo[4.3.2.01,5]undecan-4-yl)methyl]-3,3-dimethylcyclohexyl] acetate.
Chemical Property Profile of Angasiol acetate
Property Insights of Angasiol acetate
The XLogP value of 5.4 indicates that Angasiol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Angasiol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Angasiol acetate 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 Angasiol acetate?
The CAS number of Angasiol acetate is 123967-75-9.
What is the molecular formula of Angasiol acetate?
The molecular formula of Angasiol acetate is C22H32Br2O4.
What is the molecular weight of Angasiol acetate?
The molecular weight of Angasiol acetate is 518.07 g/mol.
Where can I buy Angasiol acetate?
You can request a quote for Angasiol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Angasiol acetate?
Yes, KEHONG BIO provides custom synthesis services for Angasiol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.