C20H23N5.1/2H2O
TL;DR: C20H23N5.1/2H2O (CAS 83947-99-3) is a chemical compound with molecular formula C20H23N5 and molecular weight 333.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-N'-(2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-7-yl)propane-1,3-diamine
Also Known As: C20H23N5.1/2H2O, C20-H23-N5.1/2H2-O, J1.537.013K, 1,3-Propanediamine, N-ethyl-N'-(6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-, hemihydrate, N-[3-(ethylamino)propyl]-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-7-amine
| Molecular Formula | C20H23N5 |
|---|---|
| Molecular Weight | 333.20 g/mol |
| LogP | 3.98422 |
| Topological Polar Surface Area | 65.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.19534 |
| Heavy Atoms | 25 |
| Complexity | 1034.4851 |
Chemical Identifiers
| CAS Number | 83947-99-3 |
|---|---|
| SMILES | CCNCCCNC1=NC=CC2=C(C3=C(C=C21)C4=C(N3)C=CN=C4)C |
Product Overview
C20H23N5.1/2H2O (CAS 83947-99-3), with molecular formula C20H23N5 and molecular weight 333.20 g/mol. IUPAC: N-ethyl-N'-(2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-7-yl)propane-1,3-diamine.
Chemical Property Profile of C20H23N5.1/2H2O
Property Insights of C20H23N5.1/2H2O
The XLogP value of 3.98422 indicates that C20H23N5.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.63 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H23N5.1/2H2O. Following Lipinski's Rule of Five, C20H23N5.1/2H2O has 3 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 C20H23N5.1/2H2O?
The CAS number of C20H23N5.1/2H2O is 83947-99-3.
What is the molecular formula of C20H23N5.1/2H2O?
The molecular formula of C20H23N5.1/2H2O is C20H23N5.
What is the molecular weight of C20H23N5.1/2H2O?
The molecular weight of C20H23N5.1/2H2O is 333.20 g/mol.
Where can I buy C20H23N5.1/2H2O?
You can request a quote for C20H23N5.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H23N5.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C20H23N5.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.