(4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
TL;DR: (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one (CAS 38772-79-1) is a chemical compound with molecular formula C10H14O and molecular weight 150.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Also Known As: (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one, (+)-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone, (4AS)-2,3,4,4A,5,6,7,8-OCTAHYDRONAPHTHALEN-2-ONE, (4aS)-4,4a,5,6,7,8-Hexahydro-2(3H)-naphthalenone, (4aS)-4,4a,5,6,7,8-Hexahydronaphthalen-2(3H)-one
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 38772-79-1 |
|---|---|
| SMILES | C1CCC2=CC(=O)CC[C@@H]2C1 |
| InChIKey | FOCKPZOFYCTNIA-QMMMGPOBSA-N |
Product Overview
(4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one (CAS 38772-79-1), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one.
Chemical Property Profile of (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Property Insights of (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one 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 (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
The CAS number of (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one is 38772-79-1.
What is the molecular formula of (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
The molecular formula of (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one is C10H14O.
What is the molecular weight of (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
The molecular weight of (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one is 150.10 g/mol.
Where can I buy (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
You can request a quote for (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
Yes, KEHONG BIO provides custom synthesis services for (4aS)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.