恩他卡朋
TL;DR: 恩他卡朋 (CAS 686349-59-7) is a chemical compound with molecular formula C14H15N3O5 and molecular weight 305.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
恩他卡朋
(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
Also Known As: Comtan, Comtess, Entacaponum, Entacapona, Entacom
| Molecular Formula | C14H15N3O5 |
|---|---|
| Molecular Weight | 305.10 g/mol |
| LogP | 1.78138 |
| Topological Polar Surface Area | 127.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.10117 |
| Heavy Atoms | 22 |
| Complexity | 671.79126 |
Chemical Identifiers
| CAS Number | 686349-59-7 |
|---|---|
| SMILES | CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N |
Product Overview
恩他卡朋 (CAS 686349-59-7), with molecular formula C14H15N3O5 and molecular weight 305.10 g/mol. IUPAC: (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide.
Chemical Property Profile of 恩他卡朋
Property Insights of 恩他卡朋
The XLogP value of 1.78138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 恩他卡朋. The TPSA of 127.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 恩他卡朋. Following Lipinski's Rule of Five, 恩他卡朋 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 恩他卡朋?
The CAS number of 恩他卡朋 is 686349-59-7.
What is the molecular formula of 恩他卡朋?
The molecular formula of 恩他卡朋 is C14H15N3O5.
What is the molecular weight of 恩他卡朋?
The molecular weight of 恩他卡朋 is 305.10 g/mol.
Where can I buy 恩他卡朋?
You can request a quote for 恩他卡朋 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 恩他卡朋?
Yes, KEHONG BIO provides custom synthesis services for 恩他卡朋 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.