![2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole structure](/static/products/374/374104-56-0.png)
2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole
TL;DR: 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole (CAS 374104-56-0) is a chemical compound with molecular formula C20H31N3S2 and molecular weight 377.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole
Also Known As: 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole, 2,4-bis(pentylthio)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole
| Molecular Formula | C20H31N3S2 |
|---|---|
| Molecular Weight | 377.20 g/mol |
| LogP | 6.4013 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 377.19595 |
| Heavy Atoms | 25 |
| Complexity | 681.1214 |
Chemical Identifiers
| CAS Number | 374104-56-0 |
|---|---|
| SMILES | CCCCCSC1=NC(=NC2=C1C3=C(N2)CCCC3)SCCCCC |
Product Overview
2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole (CAS 374104-56-0), with molecular formula C20H31N3S2 and molecular weight 377.20 g/mol. IUPAC: 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole.
Chemical Property Profile of 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole
Property Insights of 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole
The XLogP value of 6.4013 indicates that 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole?
The CAS number of 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole is 374104-56-0.
What is the molecular formula of 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole?
The molecular formula of 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole is C20H31N3S2.
What is the molecular weight of 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole?
The molecular weight of 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole is 377.20 g/mol.
Where can I buy 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole?
You can request a quote for 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.