![2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/799/799780-39-5.png)
2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 799780-39-5) is a chemical compound with molecular formula C27H36N2O2S2 and molecular weight 484.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-butoxyphenyl)-3-hexylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 2-(4-butoxyphenyl)-4-(hexylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C27H36N2O2S2 |
|---|---|
| Molecular Weight | 484.22 g/mol |
| LogP | 8.0609 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 484.22183 |
| Heavy Atoms | 33 |
| Complexity | 1060.1637 |
Chemical Identifiers
| CAS Number | 799780-39-5 |
|---|---|
| SMILES | CCCCCCSC1=NC(=NC2=C1C3=C(S2)COC(C3)(C)C)C4=CC=C(C=C4)OCCCC |
Product Overview
2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 799780-39-5), with molecular formula C27H36N2O2S2 and molecular weight 484.22 g/mol. IUPAC: 5-(4-butoxyphenyl)-3-hexylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of 2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 8.0609 indicates that 2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.24 Ų, 2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-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-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 799780-39-5.
What is the molecular formula of 2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is C27H36N2O2S2.
What is the molecular weight of 2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 484.22 g/mol.
Where can I buy 2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-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-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-butoxyphenyl)-4-(hexylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.