![2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one structure](/static/products/369/369403-98-5.png)
2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
TL;DR: 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one (CAS 369403-98-5) is a chemical compound with molecular formula C25H32N2O3S2 and molecular weight 472.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hexylsulfanyl-4-(4-methoxyphenyl)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-(HEXYLSULFANYL)-6-ISOPROPYL-3-(4-METHOXYPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE, 2-(hexylthio)-6-isopropyl-3-(4-methoxyphenyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
| Molecular Formula | C25H32N2O3S2 |
|---|---|
| Molecular Weight | 472.19 g/mol |
| LogP | 6.2255 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.18542 |
| Heavy Atoms | 32 |
| Complexity | 1118.9028 |
Chemical Identifiers
| CAS Number | 369403-98-5 |
|---|---|
| SMILES | CCCCCCSC1=NC2=C(C3=C(S2)COC(C3)C(C)C)C(=O)N1C4=CC=C(C=C4)OC |
Product Overview
2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one (CAS 369403-98-5), with molecular formula C25H32N2O3S2 and molecular weight 472.19 g/mol. IUPAC: 5-hexylsulfanyl-4-(4-methoxyphenyl)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Property Insights of 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
The XLogP value of 6.2255 indicates that 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one 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-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The CAS number of 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is 369403-98-5.
What is the molecular formula of 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is C25H32N2O3S2.
What is the molecular weight of 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is 472.19 g/mol.
Where can I buy 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.