![3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide structure](/static/products/371/371937-13-2.png)
3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide
TL;DR: 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide (CAS 371937-13-2) is a chemical compound with molecular formula C27H33N3O4S2 and molecular weight 527.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-[(4-propoxyphenyl)methyl]propanamide
Also Known As: 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide, 3-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide
| Molecular Formula | C27H33N3O4S2 |
|---|---|
| Molecular Weight | 527.19 g/mol |
| LogP | 5.0827 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 527.1912 |
| Heavy Atoms | 36 |
| Complexity | 1295.0764 |
Chemical Identifiers
| CAS Number | 371937-13-2 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)CNC(=O)CCSC2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2CC=C |
Product Overview
3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide (CAS 371937-13-2), with molecular formula C27H33N3O4S2 and molecular weight 527.19 g/mol. IUPAC: 3-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-[(4-propoxyphenyl)methyl]propanamide.
Chemical Property Profile of 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide
Property Insights of 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide
The XLogP value of 5.0827 indicates that 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide. Following Lipinski's Rule of Five, 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide has 1 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 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide?
The CAS number of 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide is 371937-13-2.
What is the molecular formula of 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide?
The molecular formula of 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide is C27H33N3O4S2.
What is the molecular weight of 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide?
The molecular weight of 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide is 527.19 g/mol.
Where can I buy 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide?
You can request a quote for 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.