![Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide structure](/static/products/6729/672950-69-5.webp)
Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide
TL;DR: Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide (CAS 672950-69-5) is a chemical compound with molecular formula C14H12ClN3S2 and molecular weight 321.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-11,13-dimethyl-4-prop-2-enylsulfanyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Also Known As: allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide, 5R-1308, 6-chloro-11,13-dimethyl-4-prop-2-enylsulfanyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene, 4-Chloro-7,9-dimethyl-2-(2-propen-1-ylthio)pyrido[3a(2),2a(2):4,5]thieno[3,2-d]pyrimidine, 4-Chloro-7,9-dimethyl-2-[(prop-2-en-1-yl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C14H12ClN3S2 |
|---|---|
| Molecular Weight | 321.02 g/mol |
| LogP | 4.78784 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0161 |
| Heavy Atoms | 20 |
| Complexity | 826.2487 |
Chemical Identifiers
| CAS Number | 672950-69-5 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C3=C(S2)C(=NC(=N3)SCC=C)Cl)C |
Product Overview
Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide (CAS 672950-69-5), with molecular formula C14H12ClN3S2 and molecular weight 321.02 g/mol. IUPAC: 6-chloro-11,13-dimethyl-4-prop-2-enylsulfanyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
Chemical Property Profile of Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide
Property Insights of Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide
The XLogP value of 4.78784 indicates that Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide has 0 hydrogen bond donor(s) and 5 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 Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide?
The CAS number of Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide is 672950-69-5.
What is the molecular formula of Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide?
The molecular formula of Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide is C14H12ClN3S2.
What is the molecular weight of Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide?
The molecular weight of Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide is 321.02 g/mol.
Where can I buy Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide?
You can request a quote for Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Allyl 4-chloro-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.