RefChem:500736
TL;DR: RefChem:500736 (CAS 42507-56-2) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,5S)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde
Also Known As: 3-Cyclohexene-1-carboxaldehyde, 4,5-dimethyl-2-(2-methyl-1-propenyl)-, (1R,2R,5S)-rel-, (1alpha,2beta,5alpha)-4,5-Dimethyl-2-(2-methylpropen-2-yl)cyclohex-3-ene-1-carbaldehyde, 3-Cyclohexene-1-carboxaldehyde, 4,5-dimethyl-2-(2-methyl-1-propen-1-yl)-, (1R,2R,5S)-rel-, (1R,2R,5S)-4,5-dimethyl-2-(2-methylprop-1-en-1-yl)cyclohex-3-ene-1-carbaldehyde, (1R,2R,5S)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 42507-56-2 |
|---|---|
| SMILES | C[C@H]1C[C@H]([C@@H](C=C1C)C=C(C)C)C=O |
| InChIKey | DBKJZSIBBKOBCN-XQQFMLRXSA-N |
Product Overview
RefChem:500736 (CAS 42507-56-2), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: (1R,2R,5S)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde.
Chemical Property Profile of RefChem:500736
Property Insights of RefChem:500736
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:500736. With a topological polar surface area (TPSA) of 17.1 Ų, RefChem:500736 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:500736 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 RefChem:500736?
The CAS number of RefChem:500736 is 42507-56-2.
What is the molecular formula of RefChem:500736?
The molecular formula of RefChem:500736 is C13H20O.
What is the molecular weight of RefChem:500736?
The molecular weight of RefChem:500736 is 192.15 g/mol.
Where can I buy RefChem:500736?
You can request a quote for RefChem:500736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:500736?
Yes, KEHONG BIO provides custom synthesis services for RefChem:500736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.