![2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine structure](/static/products/4780/478029-87-7.webp)
2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine
TL;DR: 2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine (CAS 478029-87-7) is a chemical compound with molecular formula C16H17N3S2 and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-propan-2-yl-2-prop-2-enylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-amine
Also Known As: 2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine, 2R-1314, N-propan-2-yl-2-prop-2-enylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-amine, 4-(prop-2-en-1-ylsulfanyl)-N-(propan-2-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 | C16H17N3S2 |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 4.9429 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.0864 |
| Heavy Atoms | 21 |
| Complexity | 792.66736 |
Chemical Identifiers
| CAS Number | 478029-87-7 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC2=C1SC3=CC=CC=C32)SCC=C |
Product Overview
2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine (CAS 478029-87-7), with molecular formula C16H17N3S2 and molecular weight 315.09 g/mol. IUPAC: N-propan-2-yl-2-prop-2-enylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-amine.
Chemical Property Profile of 2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine
Property Insights of 2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine
The XLogP value of 4.9429 indicates that 2-(allylsulfanyl)-N-isopropyl[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, 2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine 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 2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine?
The CAS number of 2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine is 478029-87-7.
What is the molecular formula of 2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine?
The molecular formula of 2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine is C16H17N3S2.
What is the molecular weight of 2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine?
The molecular weight of 2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine is 315.09 g/mol.
Where can I buy 2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine?
You can request a quote for 2-(allylsulfanyl)-N-isopropyl[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 2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-(allylsulfanyl)-N-isopropyl[1]benzothieno[3,2-d]pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.