(-)-p-Menth-3-en-2-one
TL;DR: (-)-p-Menth-3-en-2-one (CAS 23735-20-8) is a chemical compound with molecular formula C23H27NO6S and molecular weight 445.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: (-)-p-Menth-3-en-2-one, Dibenzo(b,e)thiepin-11-propylamine, 6,11-dihydro-N,N-dimethyl-, 5,5-dioxide, fumarate (1:1), 11-(3-Dimethylaminopropyl)-6,11-dihydrodibenzo(b,e)thiepin 5,5-dioxide hydrogen fumarate, 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propylamine 5,5-dioxide fumarate, 3-(5,5-Dioxido-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-N,N-dimethy l-1-propanaminium (2E)-3-carboxyacrylate
| Molecular Formula | C23H27NO6S |
|---|---|
| Molecular Weight | 445.16 g/mol |
| LogP | 0.4076 |
| Topological Polar Surface Area | 116.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.1559 |
| Heavy Atoms | 31 |
| Complexity | 1043.2413 |
Chemical Identifiers
| CAS Number | 23735-20-8 |
|---|---|
| SMILES | C[NH+](C)CCCC1C2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C13.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
(-)-p-Menth-3-en-2-one (CAS 23735-20-8), with molecular formula C23H27NO6S and molecular weight 445.16 g/mol. IUPAC: 3-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of (-)-p-Menth-3-en-2-one
Property Insights of (-)-p-Menth-3-en-2-one
The XLogP value of 0.4076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-p-Menth-3-en-2-one. The TPSA of 116.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (-)-p-Menth-3-en-2-one. Following Lipinski's Rule of Five, (-)-p-Menth-3-en-2-one has 2 hydrogen bond donor(s) and 5 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 (-)-p-Menth-3-en-2-one?
The CAS number of (-)-p-Menth-3-en-2-one is 23735-20-8.
What is the molecular formula of (-)-p-Menth-3-en-2-one?
The molecular formula of (-)-p-Menth-3-en-2-one is C23H27NO6S.
What is the molecular weight of (-)-p-Menth-3-en-2-one?
The molecular weight of (-)-p-Menth-3-en-2-one is 445.16 g/mol.
Where can I buy (-)-p-Menth-3-en-2-one?
You can request a quote for (-)-p-Menth-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-p-Menth-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (-)-p-Menth-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.