![N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide structure](/static/products/497/497077-07-3.png)
N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
TL;DR: N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 497077-07-3) is a chemical compound with molecular formula C21H23N3O4S2 and molecular weight 445.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxyphenyl)-2-[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide
Also Known As: N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(3-methoxyphenyl)-2-[(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C21H23N3O4S2 |
|---|---|
| Molecular Weight | 445.11 g/mol |
| LogP | 3.5857 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.113 |
| Heavy Atoms | 30 |
| Complexity | 1182.9436 |
Chemical Identifiers
| CAS Number | 497077-07-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC(=CC=C4)OC)C)C |
Product Overview
N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 497077-07-3), with molecular formula C21H23N3O4S2 and molecular weight 445.11 g/mol. IUPAC: N-(3-methoxyphenyl)-2-[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
Property Insights of N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
The XLogP value of 3.5857 indicates that N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide 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 N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide has 1 hydrogen bond donor(s) and 7 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 N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
The CAS number of N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is 497077-07-3.
What is the molecular formula of N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
The molecular formula of N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is C21H23N3O4S2.
What is the molecular weight of N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
The molecular weight of N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is 445.11 g/mol.
Where can I buy N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
You can request a quote for N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methoxyphenyl)-2-((3,6,6-trimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.