![2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine structure](/static/products/4780/478029-99-1.webp)
2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine
TL;DR: 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine (CAS 478029-99-1) is a chemical compound with molecular formula C24H18N2OS3 and molecular weight 446.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-(4-methoxyphenyl)sulfanyl-[1]benzothiolo[3,2-d]pyrimidine
Also Known As: 2R-1329, 2-(benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine, 2-benzylsulfanyl-4-(4-methoxyphenyl)sulfanyl-[1]benzothiolo[3,2-d]pyrimidine, 4-(benzylsulfanyl)-6-[(4-methoxyphenyl)sulfanyl]-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene
| Molecular Formula | C24H18N2OS3 |
|---|---|
| Molecular Weight | 446.06 g/mol |
| LogP | 7.2966 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.05814 |
| Heavy Atoms | 30 |
| Complexity | 1301.1166 |
Chemical Identifiers
| CAS Number | 478029-99-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC2=NC(=NC3=C2SC4=CC=CC=C43)SCC5=CC=CC=C5 |
Product Overview
2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine (CAS 478029-99-1), with molecular formula C24H18N2OS3 and molecular weight 446.06 g/mol. IUPAC: 2-benzylsulfanyl-4-(4-methoxyphenyl)sulfanyl-[1]benzothiolo[3,2-d]pyrimidine.
Chemical Property Profile of 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine
Property Insights of 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine
The XLogP value of 7.2966 indicates that 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine?
The CAS number of 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine is 478029-99-1.
What is the molecular formula of 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine?
The molecular formula of 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine is C24H18N2OS3.
What is the molecular weight of 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine?
The molecular weight of 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine is 446.06 g/mol.
Where can I buy 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine?
You can request a quote for 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-4-[(4-methoxyphenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.