![N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine structure](/static/products/836/836643-39-1.png)
N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine
TL;DR: N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine (CAS 836643-39-1) is a chemical compound with molecular formula C21H29N5OS2 and molecular weight 431.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-dimethyl-N-(4,4,8-trimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaen-13-yl)propane-1,3-diamine
Also Known As: N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine, N1,N1-dimethyl-N3-(2,2,5-trimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)propane-1,3-diamine
| Molecular Formula | C21H29N5OS2 |
|---|---|
| Molecular Weight | 431.18 g/mol |
| LogP | 4.48472 |
| Topological Polar Surface Area | 63.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.18137 |
| Heavy Atoms | 29 |
| Complexity | 1060.573 |
Chemical Identifiers
| CAS Number | 836643-39-1 |
|---|---|
| SMILES | CC1=C2COC(CC2=C3C4=C(C(=NC(=N4)SC)NCCCN(C)C)SC3=N1)(C)C |
Product Overview
N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine (CAS 836643-39-1), with molecular formula C21H29N5OS2 and molecular weight 431.18 g/mol. IUPAC: N',N'-dimethyl-N-(4,4,8-trimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaen-13-yl)propane-1,3-diamine.
Chemical Property Profile of N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine
Property Insights of N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine
The XLogP value of 4.48472 indicates that N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.17 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine. Following Lipinski's Rule of Five, N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine has 1 hydrogen bond donor(s) and 8 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,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine?
The CAS number of N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine is 836643-39-1.
What is the molecular formula of N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine?
The molecular formula of N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine is C21H29N5OS2.
What is the molecular weight of N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine?
The molecular weight of N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine is 431.18 g/mol.
Where can I buy N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine?
You can request a quote for N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.