IFLab1_005420
TL;DR: IFLab1_005420 (CAS 577787-96-3) is a chemical compound with molecular formula C16H19BrN2O and molecular weight 334.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-bromo-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
Also Known As: IFLab1_005420, IDI1_010823, AF-399/41341164, N-(5-bromopyridin-2-yl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide, (1S,4R)-N-(5-bromopyridin-2-yl)-3,3-dimethyl-2-methylenebicyclo[2.2.1]heptane-1-carboxamide
| Molecular Formula | C16H19BrN2O |
|---|---|
| Molecular Weight | 334.07 g/mol |
| LogP | 4.1651 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.06808 |
| Heavy Atoms | 20 |
| Complexity | 578.6446 |
Chemical Identifiers
| CAS Number | 577787-96-3 |
|---|---|
| SMILES | CC1(C2CCC(C2)(C1=C)C(=O)NC3=NC=C(C=C3)Br)C |
Product Overview
IFLab1_005420 (CAS 577787-96-3), with molecular formula C16H19BrN2O and molecular weight 334.07 g/mol. IUPAC: N-(5-bromo-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of IFLab1_005420
Property Insights of IFLab1_005420
The XLogP value of 4.1651 indicates that IFLab1_005420 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, IFLab1_005420 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_005420 has 1 hydrogen bond donor(s) and 2 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 IFLab1_005420?
The CAS number of IFLab1_005420 is 577787-96-3.
What is the molecular formula of IFLab1_005420?
The molecular formula of IFLab1_005420 is C16H19BrN2O.
What is the molecular weight of IFLab1_005420?
The molecular weight of IFLab1_005420 is 334.07 g/mol.
Where can I buy IFLab1_005420?
You can request a quote for IFLab1_005420 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005420?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005420 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.