AHR-5645B free base
TL;DR: AHR-5645B free base (CAS 50733-99-8) is a chemical compound with molecular formula C18H27N3O and molecular weight 301.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-(1-cyclohexylpyrrolidin-3-yl)-N-methylbenzamide
Also Known As: AHR-5645B free base, Benzamide, 4-amino-N-(1-cyclohexyl-3-pyrrolidinyl)-N-methyl-, 4-amino-N-(1-cyclohexylpyrrolidin-3-yl)-N-methylbenzamide, 4-amino-N-(1-cyclohexyl-3-pyrrolidinyl)-N-methylbenzamide, 4-amino-N-(1-cyclohexylpyrrolidin-3-yl)-N-methyl-benzamide
| Molecular Formula | C18H27N3O |
|---|---|
| Molecular Weight | 301.22 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.21542 |
| Heavy Atoms | 22 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 50733-99-8 |
|---|---|
| SMILES | CN(C1CCN(C1)C2CCCCC2)C(=O)C3=CC=C(C=C3)N |
| InChIKey | BCZLLYRBOISBCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AHR-5645B free base (CAS 50733-99-8), with molecular formula C18H27N3O and molecular weight 301.22 g/mol. IUPAC: 4-amino-N-(1-cyclohexylpyrrolidin-3-yl)-N-methylbenzamide.
Chemical Property Profile of AHR-5645B free base
Property Insights of AHR-5645B free base
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AHR-5645B free base. With a topological polar surface area (TPSA) of 49.6 Ų, AHR-5645B free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AHR-5645B free base 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 AHR-5645B free base?
The CAS number of AHR-5645B free base is 50733-99-8.
What is the molecular formula of AHR-5645B free base?
The molecular formula of AHR-5645B free base is C18H27N3O.
What is the molecular weight of AHR-5645B free base?
The molecular weight of AHR-5645B free base is 301.22 g/mol.
Where can I buy AHR-5645B free base?
You can request a quote for AHR-5645B free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AHR-5645B free base?
Yes, KEHONG BIO provides custom synthesis services for AHR-5645B free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.