![chloro-(3-ethylpent-2-enyl)-methyl-[?]one structure](/static/products/2578/257891-60-4.webp)
chloro-(3-ethylpent-2-enyl)-methyl-[?]one
TL;DR: chloro-(3-ethylpent-2-enyl)-methyl-[?]one (CAS 257891-60-4) is a chemical compound with molecular formula C18H24ClN3O and molecular weight 333.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-10-(3-ethylpent-2-enyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: chloro-(3-ethylpent-2-enyl)-methyl-[?]one, Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 9-chloro-6-(3-ethyl-2-pentenyl)-4,5,6,7-tetrahydro-5-methyl-, 9-Chloro-6-(3-ethylpent-2-en-1-yl)-5-methyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol, Imidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, 9-chloro-6-(3-ethyl-2-pentenyl)-4,5,6,7-tetrahydro-5-methyl-
| Molecular Formula | C18H24ClN3O |
|---|---|
| Molecular Weight | 333.16 g/mol |
| LogP | 3.9335 |
| Topological Polar Surface Area | 41.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.1608 |
| Heavy Atoms | 23 |
| Complexity | 796.435 |
Chemical Identifiers
| CAS Number | 257891-60-4 |
|---|---|
| SMILES | CCC(=CCN1CC2=C3C(=CC(=C2)Cl)NC(=O)N3CC1C)CC |
Product Overview
chloro-(3-ethylpent-2-enyl)-methyl-[?]one (CAS 257891-60-4), with molecular formula C18H24ClN3O and molecular weight 333.16 g/mol. IUPAC: 6-chloro-10-(3-ethylpent-2-enyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one.
Chemical Property Profile of chloro-(3-ethylpent-2-enyl)-methyl-[?]one
Property Insights of chloro-(3-ethylpent-2-enyl)-methyl-[?]one
The XLogP value of 3.9335 indicates that chloro-(3-ethylpent-2-enyl)-methyl-[?]one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.03 Ų, chloro-(3-ethylpent-2-enyl)-methyl-[?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, chloro-(3-ethylpent-2-enyl)-methyl-[?]one 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 chloro-(3-ethylpent-2-enyl)-methyl-[?]one?
The CAS number of chloro-(3-ethylpent-2-enyl)-methyl-[?]one is 257891-60-4.
What is the molecular formula of chloro-(3-ethylpent-2-enyl)-methyl-[?]one?
The molecular formula of chloro-(3-ethylpent-2-enyl)-methyl-[?]one is C18H24ClN3O.
What is the molecular weight of chloro-(3-ethylpent-2-enyl)-methyl-[?]one?
The molecular weight of chloro-(3-ethylpent-2-enyl)-methyl-[?]one is 333.16 g/mol.
Where can I buy chloro-(3-ethylpent-2-enyl)-methyl-[?]one?
You can request a quote for chloro-(3-ethylpent-2-enyl)-methyl-[?]one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for chloro-(3-ethylpent-2-enyl)-methyl-[?]one?
Yes, KEHONG BIO provides custom synthesis services for chloro-(3-ethylpent-2-enyl)-methyl-[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.