![N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine structure](/static/products/4780/478029-90-2.webp)
N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine
TL;DR: N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine (CAS 478029-90-2) is a chemical compound with molecular formula C21H19N3S2 and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)methylsulfanyl]-N-prop-2-enyl-[1]benzothiolo[3,2-d]pyrimidin-4-amine
Also Known As: Bionet1_004572, 2R-1319, N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine, 2-[(4-methylphenyl)methylsulfanyl]-N-prop-2-enyl-[1]benzothiolo[3,2-d]pyrimidin-4-amine, 4-{[(4-methylphenyl)methyl]sulfanyl}-N-(prop-2-en-1-yl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine
| Molecular Formula | C21H19N3S2 |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | 6.04312 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.10205 |
| Heavy Atoms | 26 |
| Complexity | 1067.9545 |
Chemical Identifiers
| CAS Number | 478029-90-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)NCC=C)SC4=CC=CC=C43 |
Product Overview
N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine (CAS 478029-90-2), with molecular formula C21H19N3S2 and molecular weight 377.10 g/mol. IUPAC: 2-[(4-methylphenyl)methylsulfanyl]-N-prop-2-enyl-[1]benzothiolo[3,2-d]pyrimidin-4-amine.
Chemical Property Profile of N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine
Property Insights of N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine
The XLogP value of 6.04312 indicates that N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.81 Ų, N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine?
The CAS number of N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine is 478029-90-2.
What is the molecular formula of N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine?
The molecular formula of N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine is C21H19N3S2.
What is the molecular weight of N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine?
The molecular weight of N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine is 377.10 g/mol.
Where can I buy N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine?
You can request a quote for N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-2-[(4-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.