C18H19Cl2N3OS.ClH
TL;DR: C18H19Cl2N3OS.ClH (CAS 38915-31-0) is a chemical compound with molecular formula C18H19Cl2N3OS and molecular weight 395.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-N-[3-(2-chloroethylsulfanyl)propyl]-2-methoxybenzo[b][1,5]naphthyridin-10-amine
Also Known As: ICR 342, N(CCCSCCCl)c1c2ccc(Cl)cc2nc3ccc(OC)nc13, 7-chloro-N-[3-(2-chloroethylsulfanyl)propyl]-2-methoxybenzo[b][1,5]naphthyridin-10-amine, 7-Chloro-10-((3-((2-chloroethyl)thio)propyl)amino)-2-methoxybenzo(b)-1,5-naphthyridine HCl, Benzo(b)-1,5-naphthyridin-10-amine, 7-chloro-N-(3-((2-chloroethyl)thio)propyl)-2-methoxy-, hydrochloride
| Molecular Formula | C18H19Cl2N3OS |
|---|---|
| Molecular Weight | 395.06 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 395.0626 |
| Heavy Atoms | 25 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 38915-31-0 |
|---|---|
| SMILES | COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCSCCCl |
| InChIKey | KAGNZQOYBGZGKS-UHFFFAOYSA-N |
Product Overview
C18H19Cl2N3OS.ClH (CAS 38915-31-0), with molecular formula C18H19Cl2N3OS and molecular weight 395.06 g/mol. IUPAC: 7-chloro-N-[3-(2-chloroethylsulfanyl)propyl]-2-methoxybenzo[b][1,5]naphthyridin-10-amine.
Chemical Property Profile of C18H19Cl2N3OS.ClH
Property Insights of C18H19Cl2N3OS.ClH
The XLogP value of 5.1 indicates that C18H19Cl2N3OS.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H19Cl2N3OS.ClH. Following Lipinski's Rule of Five, C18H19Cl2N3OS.ClH has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18H19Cl2N3OS.ClH?
The CAS number of C18H19Cl2N3OS.ClH is 38915-31-0.
What is the molecular formula of C18H19Cl2N3OS.ClH?
The molecular formula of C18H19Cl2N3OS.ClH is C18H19Cl2N3OS.
What is the molecular weight of C18H19Cl2N3OS.ClH?
The molecular weight of C18H19Cl2N3OS.ClH is 395.06 g/mol.
Where can I buy C18H19Cl2N3OS.ClH?
You can request a quote for C18H19Cl2N3OS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H19Cl2N3OS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C18H19Cl2N3OS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.