NCI60_007810
TL;DR: NCI60_007810 (CAS 106689-87-6) is a chemical compound with molecular formula C18H25N5 and molecular weight 311.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-diethyl-N-(6-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)propane-1,3-diamine
Also Known As: NCI60_007810, 1,3-Propanediamine, N,N-diethyl-N'-(4-methyl-5H-dipyrido(4,3-b:3',4'-d)pyrrol-1-yl)-, N,N-Diethyl-N'-(4-methyl-5H-dipyrido(4,3-b:3',4'-d)pyrrol-1-yl)-1,3-propanediamine, n,n-diethyl-n'-(4-methyl-5h-pyrrolo[3,2-c:4,5-c']dipyridin-1-yl)propane-1,3-diamine, N~1~,N~1~-Diethyl-N~3~-(4-methyl-5H-pyrrolo[3,2-c:4,5-c']dipyridin-1-yl)propane-1,3-diamine
| Molecular Formula | C18H25N5 |
|---|---|
| Molecular Weight | 311.21 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.211 |
| Heavy Atoms | 23 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 106689-87-6 |
|---|---|
| SMILES | CCN(CC)CCCNC1=NC=C(C2=C1C3=C(N2)C=CN=C3)C |
| InChIKey | CQXVVSCTWVUGNF-UHFFFAOYSA-N |
Product Overview
NCI60_007810 (CAS 106689-87-6), with molecular formula C18H25N5 and molecular weight 311.21 g/mol. IUPAC: N',N'-diethyl-N-(6-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)propane-1,3-diamine.
Chemical Property Profile of NCI60_007810
Property Insights of NCI60_007810
The XLogP value of 3.1 indicates that NCI60_007810 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, NCI60_007810 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_007810 has 2 hydrogen bond donor(s) and 4 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 NCI60_007810?
The CAS number of NCI60_007810 is 106689-87-6.
What is the molecular formula of NCI60_007810?
The molecular formula of NCI60_007810 is C18H25N5.
What is the molecular weight of NCI60_007810?
The molecular weight of NCI60_007810 is 311.21 g/mol.
Where can I buy NCI60_007810?
You can request a quote for NCI60_007810 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_007810?
Yes, KEHONG BIO provides custom synthesis services for NCI60_007810 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.