RefChem:565315
TL;DR: RefChem:565315 (CAS 68039-34-9) is a chemical compound with molecular formula C21H29NO3 and molecular weight 343.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(4-hydroxy-4-methylpentyl)cyclohex-3-en-1-yl]methylideneamino]benzoate
Also Known As: Methyl N-((3-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl)methylene)anthranilate, Benzoic acid, 2-[[[3-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl]methylene]amino]-, methyl ester, Methyl 2-(((3-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl)methylene)amino)benzoate, Methyl N-((3-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl)methylidene)anthranilate, methyl2-[[[3- -3-cyclohexen-1-yl]methylene]amino]benzoate
| Molecular Formula | C21H29NO3 |
|---|---|
| Molecular Weight | 343.21 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.21475 |
| Heavy Atoms | 25 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 68039-34-9 |
|---|---|
| SMILES | CC(C)(CCCC1=CCCC(C1)C=NC2=CC=CC=C2C(=O)OC)O |
| InChIKey | SHVPQYKJRHVCDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:565315 (CAS 68039-34-9), with molecular formula C21H29NO3 and molecular weight 343.21 g/mol. IUPAC: methyl 2-[[3-(4-hydroxy-4-methylpentyl)cyclohex-3-en-1-yl]methylideneamino]benzoate.
Chemical Property Profile of RefChem:565315
Property Insights of RefChem:565315
The XLogP value of 3.4 indicates that RefChem:565315 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, RefChem:565315 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:565315 has 1 hydrogen bond donor(s) and 4 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:565315?
The CAS number of RefChem:565315 is 68039-34-9.
What is the molecular formula of RefChem:565315?
The molecular formula of RefChem:565315 is C21H29NO3.
What is the molecular weight of RefChem:565315?
The molecular weight of RefChem:565315 is 343.21 g/mol.
Where can I buy RefChem:565315?
You can request a quote for RefChem:565315 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565315?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565315 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.