![3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide structure](/static/products/371/371205-34-4.png)
3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide
TL;DR: 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide (CAS 371205-34-4) is a chemical compound with molecular formula C25H29N3O3S2 and molecular weight 483.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]-N-[(4-propoxyphenyl)methyl]propanamide
Also Known As: 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide, 3-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-propoxybenzyl)propanamide
| Molecular Formula | C25H29N3O3S2 |
|---|---|
| Molecular Weight | 483.17 g/mol |
| LogP | 4.7201 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 483.16504 |
| Heavy Atoms | 33 |
| Complexity | 1198.3129 |
Chemical Identifiers
| CAS Number | 371205-34-4 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)CNC(=O)CCSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C |
Product Overview
3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide (CAS 371205-34-4), with molecular formula C25H29N3O3S2 and molecular weight 483.17 g/mol. IUPAC: 3-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]-N-[(4-propoxyphenyl)methyl]propanamide.
Chemical Property Profile of 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide
Property Insights of 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide
The XLogP value of 4.7201 indicates that 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide. Following Lipinski's Rule of Five, 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide?
The CAS number of 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide is 371205-34-4.
What is the molecular formula of 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide?
The molecular formula of 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide is C25H29N3O3S2.
What is the molecular weight of 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide?
The molecular weight of 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide is 483.17 g/mol.
Where can I buy 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide?
You can request a quote for 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-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-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-propoxybenzyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.