![N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine structure](/static/products/848/848671-28-3.png)
N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
TL;DR: N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine (CAS 848671-28-3) is a chemical compound with molecular formula C21H29N5S2 and molecular weight 415.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-butyl-14-methylsulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)-N',N'-dimethylethane-1,2-diamine
Also Known As: N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine, N1-(4-butyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)-N2,N2-dimethylethane-1,2-diamine
| Molecular Formula | C21H29N5S2 |
|---|---|
| Molecular Weight | 415.19 g/mol |
| LogP | 4.7662 |
| Topological Polar Surface Area | 53.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.18643 |
| Heavy Atoms | 28 |
| Complexity | 995.7742 |
Chemical Identifiers
| CAS Number | 848671-28-3 |
|---|---|
| SMILES | CCCCC1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC(=N4)SC)NCCN(C)C |
Product Overview
N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine (CAS 848671-28-3), with molecular formula C21H29N5S2 and molecular weight 415.19 g/mol. IUPAC: N-(7-butyl-14-methylsulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)-N',N'-dimethylethane-1,2-diamine.
Chemical Property Profile of N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
Property Insights of N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
The XLogP value of 4.7662 indicates that N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.94 Ų, N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine 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'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine?
The CAS number of N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine is 848671-28-3.
What is the molecular formula of N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine?
The molecular formula of N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine is C21H29N5S2.
What is the molecular weight of N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine?
The molecular weight of N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine is 415.19 g/mol.
Where can I buy N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine?
You can request a quote for N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N'-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.