13-Aldophomenone
TL;DR: 13-Aldophomenone (CAS 94816-66-7) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1aR,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl]prop-2-enal
Also Known As: 13-Aldophomenone, (+)-13-Aldophomenone, (1AR)-4,5,6,7,7A,7B.ALPHA.-HEXAHYDRO-6.BETA.-HYDROXY-1A.ALPHA.(1-FORMYLETHENYL)-7.ALPHA.,7A.ALPHA.-DIMETHYLNAPHTH(1,2-B)OXIREN-2(1AH)-ONE, NAPHTH(1,2-B)OXIRENE-1A(2H)-ACETALDEHYDE, 4,5,6,7,7A,7B-HEXAHYDRO-6-HYDROXY-7,7A-DIMETHYL-.ALPHA.-METHYLENE-2-OXO-, (1AR-(1A.ALPHA.,6.BETA.,7.ALPHA.,7A.ALPHA.,7B.ALPHA.))-, (1AR)-4,5,6,7,7A,7BALPHA-HEXAHYDRO-6BETA-HYDROXY-1AALPHA(1-FORMYLETHENYL)-7ALPHA,7AALPHA-DIMETHYLNAPHTH(1,2-B)OXIREN-2(1AH)-ONE
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 94816-66-7 |
|---|---|
| SMILES | C[C@H]1[C@@H](CCC2=CC(=O)[C@]3([C@@H]([C@]12C)O3)C(=C)C=O)O |
| InChIKey | WGEWVFQWCJKYNY-OANMRLRGSA-N |
Product Overview
13-Aldophomenone (CAS 94816-66-7), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: 2-[(1aR,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl]prop-2-enal.
Chemical Property Profile of 13-Aldophomenone
Property Insights of 13-Aldophomenone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Aldophomenone. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-Aldophomenone. Following Lipinski's Rule of Five, 13-Aldophomenone has 1 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 13-Aldophomenone?
The CAS number of 13-Aldophomenone is 94816-66-7.
What is the molecular formula of 13-Aldophomenone?
The molecular formula of 13-Aldophomenone is C15H18O4.
What is the molecular weight of 13-Aldophomenone?
The molecular weight of 13-Aldophomenone is 262.12 g/mol.
Where can I buy 13-Aldophomenone?
You can request a quote for 13-Aldophomenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Aldophomenone?
Yes, KEHONG BIO provides custom synthesis services for 13-Aldophomenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.