![N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide structure](/static/products/866/866042-75-3.png)
N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide
TL;DR: N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide (CAS 866042-75-3) is a chemical compound with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-2-pyrrol-1-ylphenyl)methyl]cyclohexanecarboxamide
Also Known As: N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide, N-[(3-chloro-2-pyrrol-1-ylphenyl)methyl]cyclohexanecarboxamide, N-{[3-chloro-2-(1H-pyrrol-1-yl)phenyl]methyl}cyclohexanecarboxamide, N-[(3-chloro-2-pyrrol-1-yl-phenyl)methyl]cyclohexanecarboxamide, N-{[3-chloro-2-(pyrrol-1-yl)phenyl]methyl}cyclohexanecarboxamide
| Molecular Formula | C18H21ClN2O |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 4.3272 |
| Topological Polar Surface Area | 34.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.13425 |
| Heavy Atoms | 22 |
| Complexity | 630.5416 |
Chemical Identifiers
| CAS Number | 866042-75-3 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)NCC2=C(C(=CC=C2)Cl)N3C=CC=C3 |
Product Overview
N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide (CAS 866042-75-3), with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol. IUPAC: N-[(3-chloro-2-pyrrol-1-ylphenyl)methyl]cyclohexanecarboxamide.
Chemical Property Profile of N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide
Property Insights of N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide
The XLogP value of 4.3272 indicates that N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.03 Ų, N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide has 1 hydrogen bond donor(s) and 1 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 N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide?
The CAS number of N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide is 866042-75-3.
What is the molecular formula of N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide?
The molecular formula of N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide is C18H21ClN2O.
What is the molecular weight of N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide?
The molecular weight of N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide is 316.13 g/mol.
Where can I buy N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide?
You can request a quote for N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-chloro-2-(1H-pyrrol-1-yl)benzyl]cyclohexanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.