RefChem:1057060
TL;DR: RefChem:1057060 (CAS 151602-31-2) is a chemical compound with molecular formula C9H16ClN3O3 and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetate;hydrochloride
Also Known As: 1-Ethoxycarbonyl-2-carbamidoiminopyrrolidine chlorhydrate, Ethyl 2-((aminocarbonyl)imino)-1-pyrrolidineacetate monohydrochloride, 1-Pyrrolidineacetic acid, 2-((aminocarbonyl)imino)-, ethyl ester, monohydrochloride, ethyl 2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetate;hydrochloride, 1-Pyrrolidineacetic acid, 2-((aminocarbonyl)imino)-, ethyl ester, mono hydrochloride
| Molecular Formula | C9H16ClN3O3 |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 0.5443 |
| Topological Polar Surface Area | 84.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.08801 |
| Heavy Atoms | 16 |
| Complexity | 293.7238 |
Chemical Identifiers
| CAS Number | 151602-31-2 |
|---|---|
| SMILES | CCOC(=O)CN\1CCC/C1=N\C(=O)N.Cl |
Product Overview
RefChem:1057060 (CAS 151602-31-2), with molecular formula C9H16ClN3O3 and molecular weight 249.09 g/mol. IUPAC: ethyl 2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetate;hydrochloride.
Chemical Property Profile of RefChem:1057060
Property Insights of RefChem:1057060
The XLogP value of 0.5443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1057060. The TPSA of 84.99 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057060. Following Lipinski's Rule of Five, RefChem:1057060 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:1057060?
The CAS number of RefChem:1057060 is 151602-31-2.
What is the molecular formula of RefChem:1057060?
The molecular formula of RefChem:1057060 is C9H16ClN3O3.
What is the molecular weight of RefChem:1057060?
The molecular weight of RefChem:1057060 is 249.09 g/mol.
Where can I buy RefChem:1057060?
You can request a quote for RefChem:1057060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057060?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.