RefChem:565470
TL;DR: RefChem:565470 (CAS 72727-68-5) is a chemical compound with molecular formula C19H25NO2 and molecular weight 299.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(2-bicyclo[2.2.1]heptanyl)-2-methylpropylidene]amino]benzoate
Also Known As: Benzoic acid, 2-[(3-bicyclo[2.2.1]hept-2-yl-2-methylpropylidene)amino]-, methyl ester, N-(2-Methyl-3-(bicyclo(2.2.1)hept-2-yl)propylidene)anthranilic acid, methyl ester, methyl 2-[[3-(3-bicyclo[2.2.1]heptanyl)-2-methylpropylidene]amino]benzoate, Benzoic acid, 2-((3-bicyclo(2.2.1)hept-2-yl-2-methylpropylidene)amino)-, methyl ester, Methyl 2-((3-bicyclo(2.2.1)hept-2-yl-2-methylpropylidene)amino)benzoate
| Molecular Formula | C19H25NO2 |
|---|---|
| Molecular Weight | 299.19 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.18854 |
| Heavy Atoms | 22 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 72727-68-5 |
|---|---|
| SMILES | CC(CC1CC2CCC1C2)C=NC3=CC=CC=C3C(=O)OC |
| InChIKey | OKFCAIWJERUNHP-UHFFFAOYSA-N |
Product Overview
RefChem:565470 (CAS 72727-68-5), with molecular formula C19H25NO2 and molecular weight 299.19 g/mol. IUPAC: methyl 2-[[3-(2-bicyclo[2.2.1]heptanyl)-2-methylpropylidene]amino]benzoate.
Chemical Property Profile of RefChem:565470
Property Insights of RefChem:565470
The XLogP value of 4.8 indicates that RefChem:565470 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:565470 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:565470 has 0 hydrogen bond donor(s) and 3 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:565470?
The CAS number of RefChem:565470 is 72727-68-5.
What is the molecular formula of RefChem:565470?
The molecular formula of RefChem:565470 is C19H25NO2.
What is the molecular weight of RefChem:565470?
The molecular weight of RefChem:565470 is 299.19 g/mol.
Where can I buy RefChem:565470?
You can request a quote for RefChem:565470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565470?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.