![pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate structure](/static/products/351/351441-26-4.png)
pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
TL;DR: pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate (CAS 351441-26-4) is a chemical compound with molecular formula C26H32N2O4S2 and molecular weight 500.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-[(4-benzyl-12-ethyl-12-methyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate
Also Known As: pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate, pentyl 2-((3-benzyl-6-ethyl-6-methyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate, PENTYL 2-[(3-BENZYL-6-ETHYL-6-METHYL-4-OXO-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETATE
| Molecular Formula | C26H32N2O4S2 |
|---|---|
| Molecular Weight | 500.18 g/mol |
| LogP | 5.5732 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 500.18036 |
| Heavy Atoms | 34 |
| Complexity | 1204.9713 |
Chemical Identifiers
| CAS Number | 351441-26-4 |
|---|---|
| SMILES | CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)COC(C3)(C)CC)C(=O)N1CC4=CC=CC=C4 |
Product Overview
pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate (CAS 351441-26-4), with molecular formula C26H32N2O4S2 and molecular weight 500.18 g/mol. IUPAC: pentyl 2-[(4-benzyl-12-ethyl-12-methyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate.
Chemical Property Profile of pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Property Insights of pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
The XLogP value of 5.5732 indicates that pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate?
The CAS number of pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate is 351441-26-4.
What is the molecular formula of pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate?
The molecular formula of pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate is C26H32N2O4S2.
What is the molecular weight of pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate?
The molecular weight of pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate is 500.18 g/mol.
Where can I buy pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate?
You can request a quote for pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for pentyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.