1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane
TL;DR: 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane (CAS 438027-06-6) is a chemical compound with molecular formula C12H16ClN3O and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone
Also Known As: IDI1_006845, 1-(2-chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane, (2-chloropyridin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
| Molecular Formula | C12H16ClN3O |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | 1.5127 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.09819 |
| Heavy Atoms | 17 |
| Complexity | 410.49216 |
Chemical Identifiers
| CAS Number | 438027-06-6 |
|---|---|
| SMILES | CN1CCCN(CC1)C(=O)C2=C(N=CC=C2)Cl |
Product Overview
1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane (CAS 438027-06-6), with molecular formula C12H16ClN3O and molecular weight 253.10 g/mol. IUPAC: (2-chloro-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone.
Chemical Property Profile of 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane
Property Insights of 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane
The XLogP value of 1.5127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane. With a topological polar surface area (TPSA) of 36.44 Ų, 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane has 0 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 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane?
The CAS number of 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane is 438027-06-6.
What is the molecular formula of 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane?
The molecular formula of 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane is C12H16ClN3O.
What is the molecular weight of 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane?
The molecular weight of 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane is 253.10 g/mol.
Where can I buy 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane?
You can request a quote for 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloropyridine-3-carbonyl)-4-methyl-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.