![methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate structure](/static/products/836/836631-56-2.png)
methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
TL;DR: methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate (CAS 836631-56-2) is a chemical compound with molecular formula C25H23N3O2S3 and molecular weight 493.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3-amino-10,12-diphenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]propanoate
Also Known As: methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate, methyl 3-[(4-amino-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate
| Molecular Formula | C25H23N3O2S3 |
|---|---|
| Molecular Weight | 493.10 g/mol |
| LogP | 6.0487 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.09525 |
| Heavy Atoms | 33 |
| Complexity | 1278.5566 |
Chemical Identifiers
| CAS Number | 836631-56-2 |
|---|---|
| SMILES | COC(=O)CCSC1=NC(=C2C3=C(C(SC(C3)C4=CC=CC=C4)C5=CC=CC=C5)SC2=N1)N |
Product Overview
methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate (CAS 836631-56-2), with molecular formula C25H23N3O2S3 and molecular weight 493.10 g/mol. IUPAC: methyl 3-[(3-amino-10,12-diphenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]propanoate.
Chemical Property Profile of methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
Property Insights of methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate
The XLogP value of 6.0487 indicates that methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate. Following Lipinski's Rule of Five, methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate has 1 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 methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
The CAS number of methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is 836631-56-2.
What is the molecular formula of methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
The molecular formula of methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is C25H23N3O2S3.
What is the molecular weight of methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
The molecular weight of methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate is 493.10 g/mol.
Where can I buy methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
You can request a quote for methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.