Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate
TL;DR: Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate (CAS 72007-70-6) is a chemical compound with molecular formula C18H16O4 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S,6S,7R)-6,7-dihydroxy-18-methyl-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadeca-1(11),2(8),9,12(16),17-pentaen-15-one
Also Known As: Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate, 1,2,3,4,15,16-Hexahydro-3,4-dihydroxy-11-methyl-1,2-epoxy-17H-cyclopenta(a)phenanthren-17-one (1alpha,2alpha,3beta,4alpha)-, 1,2-Epoxy-17H-cyclopenta(a)phenanthren-17-one, 1,2,3,4,15,16-hexahydro-3,4-dihydroxy-11-methyl-, (1alpha,2alpha,3beta,4alpha)-, 3,4-Dihydroxy-11-methyl-1,2-epoxygona-5(10),6,8(14),9(11),12-pentaen-17-one, 3alpha,4beta-Dihydroxy-11-methyl-1alpha,2alpha-1,2-epoxygona-5(10),6,8(14),9(11),12-pentaen-17-one
| Molecular Formula | C18H16O4 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 296.10486 |
| Heavy Atoms | 22 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 72007-70-6 |
|---|---|
| SMILES | CC1=CC2=C(CCC2=O)C3=C1C4=C(C=C3)[C@H]([C@@H]([C@H]5[C@@H]4O5)O)O |
| InChIKey | OONMZYAELZAOKE-XDNAFOTISA-N |
Product Overview
Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate (CAS 72007-70-6), with molecular formula C18H16O4 and molecular weight 296.10 g/mol. IUPAC: (3R,5S,6S,7R)-6,7-dihydroxy-18-methyl-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadeca-1(11),2(8),9,12(16),17-pentaen-15-one.
Chemical Property Profile of Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate
Property Insights of Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate. Following Lipinski's Rule of Five, Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate has 2 hydrogen bond donor(s) and 4 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 Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate?
The CAS number of Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate is 72007-70-6.
What is the molecular formula of Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate?
The molecular formula of Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate is C18H16O4.
What is the molecular weight of Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate?
The molecular weight of Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate is 296.10 g/mol.
Where can I buy Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate?
You can request a quote for Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.