5-22-13-00539 (Beilstein Handbook Reference)
TL;DR: 5-22-13-00539 (Beilstein Handbook Reference) (CAS 57611-97-9) is a chemical compound with molecular formula C22H27N3O3 and molecular weight 381.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzyl-4-(phenylcarbamoylamino)piperidine-4-carboxylate
Also Known As: 5-22-13-00539 (Beilstein Handbook Reference), 4-Piperidinecarboxylic acid, 4-(((phenylamino)carbonyl)amino)-1-(phenylmethyl)-, ethyl ester, Benzyl-1 (phenyl-3' ureido-1')-4 isonipecotate d' ethyle, Benzyl-1 (phenyl-3' ureido-1')-4 isonipecotate d' ethyle [French], Ethyl 4-(((phenylamino)carbonyl)amino)-1-(phenylmethyl)-4-piperidinecarboxylate
| Molecular Formula | C22H27N3O3 |
|---|---|
| Molecular Weight | 381.21 g/mol |
| LogP | 3.406 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.20523 |
| Heavy Atoms | 28 |
| Complexity | 772.12866 |
Chemical Identifiers
| CAS Number | 57611-97-9 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NC(=O)NC3=CC=CC=C3 |
Product Overview
5-22-13-00539 (Beilstein Handbook Reference) (CAS 57611-97-9), with molecular formula C22H27N3O3 and molecular weight 381.21 g/mol. IUPAC: ethyl 1-benzyl-4-(phenylcarbamoylamino)piperidine-4-carboxylate.
Chemical Property Profile of 5-22-13-00539 (Beilstein Handbook Reference)
Property Insights of 5-22-13-00539 (Beilstein Handbook Reference)
The XLogP value of 3.406 indicates that 5-22-13-00539 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-22-13-00539 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-22-13-00539 (Beilstein Handbook Reference) has 2 hydrogen bond donor(s) and 4 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 5-22-13-00539 (Beilstein Handbook Reference)?
The CAS number of 5-22-13-00539 (Beilstein Handbook Reference) is 57611-97-9.
What is the molecular formula of 5-22-13-00539 (Beilstein Handbook Reference)?
The molecular formula of 5-22-13-00539 (Beilstein Handbook Reference) is C22H27N3O3.
What is the molecular weight of 5-22-13-00539 (Beilstein Handbook Reference)?
The molecular weight of 5-22-13-00539 (Beilstein Handbook Reference) is 381.21 g/mol.
Where can I buy 5-22-13-00539 (Beilstein Handbook Reference)?
You can request a quote for 5-22-13-00539 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-22-13-00539 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-22-13-00539 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.