RefChem:1082753
TL;DR: RefChem:1082753 (CAS 105310-39-2) is a chemical compound with molecular formula C16H25ClN2O and molecular weight 296.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R)-2-(diethylcarbamoyl)-2-(4-methylphenyl)cyclopropyl]methylazanium chloride
Also Known As: 7-methyl-1,3-benzoxazole, (Z)-2-(Aminomethyl)-N,N-diethyl-1-(p-methylphenyl)cyclopropanecarboxamide hydrochloride, Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-(p-methylphenyl)-, (Z)-, monohydrochloride, (1S,2R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide, [(1S,2R)-2-(diethylcarbamoyl)-2-(4-methylphenyl)cyclopropyl]methylazanium chloride
| Molecular Formula | C16H25ClN2O |
|---|---|
| Molecular Weight | 296.17 g/mol |
| LogP | -1.63 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.16553 |
| Heavy Atoms | 20 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 105310-39-2 |
|---|---|
| SMILES | CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])C2=CC=C(C=C2)C.[Cl-] |
| InChIKey | BJYOUISVJOJDDP-XMZRARIVSA-N |
Product Overview
RefChem:1082753 (CAS 105310-39-2), with molecular formula C16H25ClN2O and molecular weight 296.17 g/mol. IUPAC: [(1S,2R)-2-(diethylcarbamoyl)-2-(4-methylphenyl)cyclopropyl]methylazanium chloride.
Chemical Property Profile of RefChem:1082753
Property Insights of RefChem:1082753
The XLogP value of -1.63 indicates that RefChem:1082753 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 48.0 Ų, RefChem:1082753 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1082753 has 1 hydrogen bond donor(s) and 2 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:1082753?
The CAS number of RefChem:1082753 is 105310-39-2.
What is the molecular formula of RefChem:1082753?
The molecular formula of RefChem:1082753 is C16H25ClN2O.
What is the molecular weight of RefChem:1082753?
The molecular weight of RefChem:1082753 is 296.17 g/mol.
Where can I buy RefChem:1082753?
You can request a quote for RefChem:1082753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082753?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.