1-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane
TL;DR: 1-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane (CAS 331853-46-4) is a chemical compound with molecular formula C11H18N2S and molecular weight 210.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane
Also Known As: BAS 01616241, 1-methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane, 1-methyl-4-[(thiophen-3-yl)methyl]-1,4-diazepane, 1-Methyl-4-thiophen-3-ylmethyl-[1,4]diazepane, AB00077018-01
| Molecular Formula | C11H18N2S |
|---|---|
| Molecular Weight | 210.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 34.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.11906 |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 331853-46-4 |
|---|---|
| SMILES | CN1CCCN(CC1)CC2=CSC=C2 |
| InChIKey | XPAPACNVPLPNJR-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane (CAS 331853-46-4), with molecular formula C11H18N2S and molecular weight 210.12 g/mol. IUPAC: 1-methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane.
Chemical Property Profile of 1-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane
Property Insights of 1-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane. With a topological polar surface area (TPSA) of 34.7 Ų, 1-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-(thiophen-3-ylmethyl)-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-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane?
The CAS number of 1-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane is 331853-46-4.
What is the molecular formula of 1-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane?
The molecular formula of 1-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane is C11H18N2S.
What is the molecular weight of 1-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane?
The molecular weight of 1-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane is 210.12 g/mol.
Where can I buy 1-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane?
You can request a quote for 1-Methyl-4-(thiophen-3-ylmethyl)-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-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(thiophen-3-ylmethyl)-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.