RefChem:353737
TL;DR: RefChem:353737 (CAS 68140-57-8) is a chemical compound with molecular formula C21H27NO2 and molecular weight 325.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(6,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-3-enylidene]amino]benzoate
Also Known As: methyl2-[[4-2-methyl-3-butenylidene]amino]benzoate, Benzoic acid, 2-[[4-(6,6-dimethyl-2-cyclohexen-1-yl)-2-methyl-3-butenylidene]amino]-, methyl ester, Methyl 2-((4-(6,6-dimethyl-2-cyclohexen-1-yl)-2-methyl-3-buten-1-ylidene)amino)benzoate, Methyl 2-[[4-(6,6-dimethyl-2-cyclohexen-1-yl)-2-methyl-3-buten-1-ylidene]amino]benzoate, methyl 2-{[4-(6,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-3-en-1-ylidene]amino}benzoate
| Molecular Formula | C21H27NO2 |
|---|---|
| Molecular Weight | 325.20 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.2042 |
| Heavy Atoms | 24 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 68140-57-8 |
|---|---|
| SMILES | CC(C=CC1C=CCCC1(C)C)C=NC2=CC=CC=C2C(=O)OC |
| InChIKey | UJEHPJROBVIUFU-UHFFFAOYSA-N |
Product Overview
RefChem:353737 (CAS 68140-57-8), with molecular formula C21H27NO2 and molecular weight 325.20 g/mol. IUPAC: methyl 2-[[4-(6,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-3-enylidene]amino]benzoate.
Chemical Property Profile of RefChem:353737
Property Insights of RefChem:353737
The XLogP value of 5.2 indicates that RefChem:353737 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, RefChem:353737 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:353737 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:353737?
The CAS number of RefChem:353737 is 68140-57-8.
What is the molecular formula of RefChem:353737?
The molecular formula of RefChem:353737 is C21H27NO2.
What is the molecular weight of RefChem:353737?
The molecular weight of RefChem:353737 is 325.20 g/mol.
Where can I buy RefChem:353737?
You can request a quote for RefChem:353737 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:353737?
Yes, KEHONG BIO provides custom synthesis services for RefChem:353737 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.