RefChem:1079051
TL;DR: RefChem:1079051 (CAS 3277-05-2) is a chemical compound with molecular formula C18H29ClN2O7 and molecular weight 420.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2,6-dimethyl-4-propoxycarbonylanilino)-1-oxopropan-2-yl]-propylazanium perchlorate
Also Known As: Benzoic acid, 3,5-dimethyl-4-(2-(propylamino)propionamido)-, propyl ester, perchlorate, 3,5-Dimethyl-4-(2-(propylamino)propionamido)benzoic acid propyl ester perchlorate, [1-(2,6-dimethyl-4-propoxycarbonylanilino)-1-oxopropan-2-yl]-propylazanium perchlorate, RefChem:1079051
| Molecular Formula | C18H29ClN2O7 |
|---|---|
| Molecular Weight | 420.17 g/mol |
| LogP | -2.59 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.16632 |
| Heavy Atoms | 28 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 3277-05-2 |
|---|---|
| SMILES | CCC[NH2+]C(C)C(=O)NC1=C(C=C(C=C1C)C(=O)OCCC)C.[O-]Cl(=O)(=O)=O |
| InChIKey | JPQTUKFKDBAVIX-UHFFFAOYSA-N |
Product Overview
RefChem:1079051 (CAS 3277-05-2), with molecular formula C18H29ClN2O7 and molecular weight 420.17 g/mol. IUPAC: [1-(2,6-dimethyl-4-propoxycarbonylanilino)-1-oxopropan-2-yl]-propylazanium perchlorate.
Chemical Property Profile of RefChem:1079051
Property Insights of RefChem:1079051
The XLogP value of -2.59 indicates that RefChem:1079051 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting RefChem:1079051 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1079051 has 2 hydrogen bond donor(s) and 7 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:1079051?
The CAS number of RefChem:1079051 is 3277-05-2.
What is the molecular formula of RefChem:1079051?
The molecular formula of RefChem:1079051 is C18H29ClN2O7.
What is the molecular weight of RefChem:1079051?
The molecular weight of RefChem:1079051 is 420.17 g/mol.
Where can I buy RefChem:1079051?
You can request a quote for RefChem:1079051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079051?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.