1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))-
TL;DR: 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))- (CAS 81010-23-3) is a chemical compound with molecular formula C20H26O6 and molecular weight 362.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,8R,12Z)-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-8-yl] acetate
Also Known As: 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))-, [(2Z,7R,11S)-15,17-dihydroxy-11-methyl-13-oxo-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-7-yl] acetate
| Molecular Formula | C20H26O6 |
|---|---|
| Molecular Weight | 362.17 g/mol |
| LogP | 3.9422 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 362.17294 |
| Heavy Atoms | 26 |
| Complexity | 679.12415 |
Chemical Identifiers
| CAS Number | 81010-23-3 |
|---|---|
| SMILES | C[C@H]1CCC[C@@H](CCC/C=C\C2=C(C(=CC(=C2)O)O)C(=O)O1)OC(=O)C |
Product Overview
1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))- (CAS 81010-23-3), with molecular formula C20H26O6 and molecular weight 362.17 g/mol. IUPAC: [(4S,8R,12Z)-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-8-yl] acetate.
Chemical Property Profile of 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))-
Property Insights of 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))-
The XLogP value of 3.9422 indicates that 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))-. Following Lipinski's Rule of Five, 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))- has 2 hydrogen bond donor(s) and 6 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 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))-?
The CAS number of 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))- is 81010-23-3.
What is the molecular formula of 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))-?
The molecular formula of 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))- is C20H26O6.
What is the molecular weight of 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))-?
The molecular weight of 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))- is 362.17 g/mol.
Where can I buy 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))-?
You can request a quote for 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))-?
Yes, KEHONG BIO provides custom synthesis services for 1H-2-Benzoxacyclotetradecin-1-one, 7-(acetyloxy)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-, (3S-(3R*,7S*,11E))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.