RefChem:1084778
TL;DR: RefChem:1084778 (CAS 105310-32-5) is a chemical compound with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methylazanium chloride
Also Known As: (E)-2-(Aminomethyl)-1-phenylcyclopropanecarboxylic acid ethyl ester hydrochloride, [(1R,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methylazanium chloride, Cyclopropanecarboxylic acid, 2-(aminomethyl)-1-phenyl-, ethyl ester, (E)-, monohydrochloride, Ethyl 2-(aminomethyl)-1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1), RefChem:1084778
| Molecular Formula | C13H18ClNO2 |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | -2.25 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.1026 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 105310-32-5 |
|---|---|
| SMILES | CCOC(=O)[C@@]1(C[C@H]1C[NH3+])C2=CC=CC=C2.[Cl-] |
| InChIKey | YFKRRFJEZYBYJL-JZKFLRDJSA-N |
Product Overview
RefChem:1084778 (CAS 105310-32-5), with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol. IUPAC: [(1R,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methylazanium chloride.
Chemical Property Profile of RefChem:1084778
Property Insights of RefChem:1084778
The XLogP value of -2.25 indicates that RefChem:1084778 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.9 Ų, RefChem:1084778 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1084778 has 1 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:1084778?
The CAS number of RefChem:1084778 is 105310-32-5.
What is the molecular formula of RefChem:1084778?
The molecular formula of RefChem:1084778 is C13H18ClNO2.
What is the molecular weight of RefChem:1084778?
The molecular weight of RefChem:1084778 is 255.10 g/mol.
Where can I buy RefChem:1084778?
You can request a quote for RefChem:1084778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084778?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.