![3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide structure](/static/products/371/371944-29-5.png)
3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide
TL;DR: 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide (CAS 371944-29-5) is a chemical compound with molecular formula C27H36N4O3S2 and molecular weight 528.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-[(4-hexoxyphenyl)methyl]propanamide
Also Known As: 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide, 3-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[4-(hexyloxy)benzyl]propanamide
| Molecular Formula | C27H36N4O3S2 |
|---|---|
| Molecular Weight | 528.22 g/mol |
| LogP | 5.8825 |
| Topological Polar Surface Area | 99.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 528.2229 |
| Heavy Atoms | 36 |
| Complexity | 1177.9706 |
Chemical Identifiers
| CAS Number | 371944-29-5 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)CNC(=O)CCSC2=NC(=C3C4=C(COC(C4)(C)C)SC3=N2)N |
Product Overview
3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide (CAS 371944-29-5), with molecular formula C27H36N4O3S2 and molecular weight 528.22 g/mol. IUPAC: 3-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-[(4-hexoxyphenyl)methyl]propanamide.
Chemical Property Profile of 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide
Property Insights of 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide
The XLogP value of 5.8825 indicates that 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide. Following Lipinski's Rule of Five, 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide?
The CAS number of 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide is 371944-29-5.
What is the molecular formula of 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide?
The molecular formula of 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide is C27H36N4O3S2.
What is the molecular weight of 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide?
The molecular weight of 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide is 528.22 g/mol.
Where can I buy 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide?
You can request a quote for 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(hexyloxy)benzyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.