![3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/313/313702-58-8.png)
3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 313702-58-8) is a chemical compound with molecular formula C29H29ClN2O2S2 and molecular weight 536.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7-tert-butyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-benzyl-7-(tert-butyl)-2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-BENZYL-7-(TERT-BUTYL)-2-{[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 3-benzyl-7-tert-butyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C29H29ClN2O2S2 |
|---|---|
| Molecular Weight | 536.14 g/mol |
| LogP | 7.2857 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.1359 |
| Heavy Atoms | 36 |
| Complexity | 1467.9243 |
Chemical Identifiers
| CAS Number | 313702-58-8 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5 |
Product Overview
3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 313702-58-8), with molecular formula C29H29ClN2O2S2 and molecular weight 536.14 g/mol. IUPAC: 3-benzyl-7-tert-butyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 7.2857 indicates that 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 313702-58-8.
What is the molecular formula of 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is C29H29ClN2O2S2.
What is the molecular weight of 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 536.14 g/mol.
Where can I buy 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.