![1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane structure](/static/products/4986/4986-57-6.webp)
1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane
TL;DR: 1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane (CAS 4986-57-6) is a chemical compound with molecular formula C18H23ClN2O2S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(5-chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane
Also Known As: 1-[(5-chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane, 1-[(5-Chlorothiophen-2-yl)(3,4-dimethoxyphenyl)methyl]-1,4-diazepane
| Molecular Formula | C18H23ClN2O2S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 3.8034 |
| Topological Polar Surface Area | 33.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.11688 |
| Heavy Atoms | 24 |
| Complexity | 668.7884 |
Chemical Identifiers
| CAS Number | 4986-57-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(C2=CC=C(S2)Cl)N3CCCNCC3)OC |
Product Overview
1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane (CAS 4986-57-6), with molecular formula C18H23ClN2O2S and molecular weight 366.12 g/mol. IUPAC: 1-[(5-chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane.
Chemical Property Profile of 1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane
Property Insights of 1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane
The XLogP value of 3.8034 indicates that 1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.73 Ų, 1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane has 1 hydrogen bond donor(s) and 5 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-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane?
The CAS number of 1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane is 4986-57-6.
What is the molecular formula of 1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane?
The molecular formula of 1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane is C18H23ClN2O2S.
What is the molecular weight of 1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane?
The molecular weight of 1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane is 366.12 g/mol.
Where can I buy 1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane?
You can request a quote for 1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)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-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[(5-Chlorothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.