![2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/7420/742094-59-3.webp)
2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one (CAS 742094-59-3) is a chemical compound with molecular formula C13H17ClN2OS and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT5221604:001, 2-(Chloromethyl)-6-methyl-5-(2-methylbutyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one, 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C13H17ClN2OS |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 3.62042 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.075 |
| Heavy Atoms | 18 |
| Complexity | 617.2142 |
Chemical Identifiers
| CAS Number | 742094-59-3 |
|---|---|
| SMILES | CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)CCl)C |
Product Overview
2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one (CAS 742094-59-3), with molecular formula C13H17ClN2OS and molecular weight 284.07 g/mol. IUPAC: 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 3.62042 indicates that 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one has 1 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 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one is 742094-59-3.
What is the molecular formula of 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one is C13H17ClN2OS.
What is the molecular weight of 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one is 284.07 g/mol.
Where can I buy 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(chloromethyl)-6-methyl-5-(2-methylbutyl)thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.