Mcn 2891
TL;DR: Mcn 2891 (CAS 33369-44-7) is a chemical compound with molecular formula C16H16ClNO3 and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]propanoic acid
Also Known As: Mcn 2891, 5-(4-Chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetic acid, 5-22-06-00400 (Beilstein Handbook Reference), 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]propanoic acid, Pyrrole-2-acetic acid, 5-(p-chlorobenzoyl)-alpha,1,4-trimethyl-
| Molecular Formula | C16H16ClNO3 |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.08188 |
| Heavy Atoms | 21 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 33369-44-7 |
|---|---|
| SMILES | CC1=C(N(C(=C1)C(C)C(=O)O)C)C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | IBQAJEYJKSRNHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mcn 2891 (CAS 33369-44-7), with molecular formula C16H16ClNO3 and molecular weight 305.08 g/mol. IUPAC: 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]propanoic acid.
Chemical Property Profile of Mcn 2891
Property Insights of Mcn 2891
The XLogP value of 3.4 indicates that Mcn 2891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Mcn 2891 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mcn 2891 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 Mcn 2891?
The CAS number of Mcn 2891 is 33369-44-7.
What is the molecular formula of Mcn 2891?
The molecular formula of Mcn 2891 is C16H16ClNO3.
What is the molecular weight of Mcn 2891?
The molecular weight of Mcn 2891 is 305.08 g/mol.
Where can I buy Mcn 2891?
You can request a quote for Mcn 2891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mcn 2891?
Yes, KEHONG BIO provides custom synthesis services for Mcn 2891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.