![3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/843/843626-85-7.png)
3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 843626-85-7) is a chemical compound with molecular formula C23H22N2O3S2 and molecular weight 438.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(2-furylmethyl)-2-[(3-methoxyphenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-4-one, 3-(furan-2-ylmethyl)-2-((3-methoxybenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 4-(furan-2-ylmethyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C23H22N2O3S2 |
|---|---|
| Molecular Weight | 438.11 g/mol |
| LogP | 5.279 |
| Topological Polar Surface Area | 57.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.10718 |
| Heavy Atoms | 30 |
| Complexity | 1241.5524 |
Chemical Identifiers
| CAS Number | 843626-85-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CO5 |
Product Overview
3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 843626-85-7), with molecular formula C23H22N2O3S2 and molecular weight 438.11 g/mol. IUPAC: 3-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.279 indicates that 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)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 57.26 Ų, 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)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-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 843626-85-7.
What is the molecular formula of 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is C23H22N2O3S2.
What is the molecular weight of 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 438.11 g/mol.
Where can I buy 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)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-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(furan-2-ylmethyl)-2-[(3-methoxybenzyl)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.