EINECS 283-587-8
TL;DR: EINECS 283-587-8 (CAS 84682-25-7) is a chemical compound with molecular formula C14H18ClN3O5 and molecular weight 343.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chloro-2-nitroanilino)-3-hydroxypiperidine-1-carboxylate
Also Known As: EINECS 283-587-8, Ethyl cis-4-((4-chloro-2-nitrophenyl)amino)-3-hydroxypiperidine-1-carboxylate, ethyl 4-(4-chloro-2-nitroanilino)-3-hydroxypiperidine-1-carboxylate, ethyl cis-4-[(4-chloro-2-nitrophenyl)amino]-3-hydroxypiperidine-1-carboxylate, 1-Piperidinecarboxylic acid,4-[(4-chloro-2-nitrophenyl)amino]-3-hydroxy-, ethyl ester, cis- (9CI)
| Molecular Formula | C14H18ClN3O5 |
|---|---|
| Molecular Weight | 343.09 g/mol |
| LogP | 2.2518 |
| Topological Polar Surface Area | 104.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.0935 |
| Heavy Atoms | 23 |
| Complexity | 597.7755 |
Chemical Identifiers
| CAS Number | 84682-25-7 |
|---|---|
| SMILES | CCOC(=O)N1CCC(C(C1)O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
EINECS 283-587-8 (CAS 84682-25-7), with molecular formula C14H18ClN3O5 and molecular weight 343.09 g/mol. IUPAC: ethyl 4-(4-chloro-2-nitroanilino)-3-hydroxypiperidine-1-carboxylate.
Chemical Property Profile of EINECS 283-587-8
Property Insights of EINECS 283-587-8
The XLogP value of 2.2518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 283-587-8. The TPSA of 104.94 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 283-587-8. Following Lipinski's Rule of Five, EINECS 283-587-8 has 2 hydrogen bond donor(s) and 6 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 EINECS 283-587-8?
The CAS number of EINECS 283-587-8 is 84682-25-7.
What is the molecular formula of EINECS 283-587-8?
The molecular formula of EINECS 283-587-8 is C14H18ClN3O5.
What is the molecular weight of EINECS 283-587-8?
The molecular weight of EINECS 283-587-8 is 343.09 g/mol.
Where can I buy EINECS 283-587-8?
You can request a quote for EINECS 283-587-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 283-587-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 283-587-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.