6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene
TL;DR: 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene (CAS 118326-95-7) is a chemical compound with molecular formula C15H18O and molecular weight 214.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,10aS)-6-methoxy-1,2,3,4,4a,10a-hexahydrophenanthrene
Also Known As: Mating pheromone Er-1, 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene, 6-methoxy-1,2,3,4,4a,10a-hexahydrophenanthrene, 1,2,3,4,4a,10a-Hexahydro-6-methoxy phenanthrene, trans-, (4aR,10aS)-6-methoxy-1,2,3,4,4a,10a-hexahydrophenanthrene
| Molecular Formula | C15H18O |
|---|---|
| Molecular Weight | 214.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.13577 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 118326-95-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C[C@H]3[C@H]2CCCC3)C=C1 |
| InChIKey | MYLYRYCVWROLJA-SMDDNHRTSA-N |
Product Overview
6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene (CAS 118326-95-7), with molecular formula C15H18O and molecular weight 214.14 g/mol. IUPAC: (4aR,10aS)-6-methoxy-1,2,3,4,4a,10a-hexahydrophenanthrene.
Chemical Property Profile of 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene
Property Insights of 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene
The XLogP value of 4.5 indicates that 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene has 0 hydrogen bond donor(s) and 1 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 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene?
The CAS number of 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene is 118326-95-7.
What is the molecular formula of 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene?
The molecular formula of 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene is C15H18O.
What is the molecular weight of 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene?
The molecular weight of 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene is 214.14 g/mol.
Where can I buy 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene?
You can request a quote for 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.