C21H25ClN4O.3ClH
TL;DR: C21H25ClN4O.3ClH (CAS 66748-23-0) is a chemical compound with molecular formula C21H28Cl4N4O and molecular weight 492.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2-methoxy-N-(4-pyrrolidin-1-ylbutyl)benzo[b][1,5]naphthyridin-10-amine;trihydrochloride
Also Known As: N(CCCCN1CCCC1)c2c3ccc(Cl)cc3nc4ccc(OC)nc24, 7-chloro-2-methoxy-N-(4-pyrrolidin-1-ylbutyl)benzo[b][1,5]na, Benzo(b)-1,5-naphthyridin-10-amine, 7-chloro-2-methoxy-N-(4-(1-pyrrolidinyl)butyl)-, trihydrochloride, 7-chloro-2-methoxy-N-(4-pyrrolidin-1-ylbutyl)benzo[b][1,5]naphthyridin-10-amine trihydrochloride
| Molecular Formula | C21H28Cl4N4O |
|---|---|
| Molecular Weight | 492.10 g/mol |
| LogP | 5.9983 |
| Topological Polar Surface Area | 50.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.1017 |
| Heavy Atoms | 30 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 66748-23-0 |
|---|---|
| SMILES | COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCN4CCCC4.Cl.Cl.Cl |
| InChIKey | WBJNKJWFWBMJKJ-UHFFFAOYSA-N |
Product Overview
C21H25ClN4O.3ClH (CAS 66748-23-0), with molecular formula C21H28Cl4N4O and molecular weight 492.10 g/mol. IUPAC: 7-chloro-2-methoxy-N-(4-pyrrolidin-1-ylbutyl)benzo[b][1,5]naphthyridin-10-amine;trihydrochloride.
Chemical Property Profile of C21H25ClN4O.3ClH
Property Insights of C21H25ClN4O.3ClH
The XLogP value of 5.9983 indicates that C21H25ClN4O.3ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.3 Ų, C21H25ClN4O.3ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H25ClN4O.3ClH has 4 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 C21H25ClN4O.3ClH?
The CAS number of C21H25ClN4O.3ClH is 66748-23-0.
What is the molecular formula of C21H25ClN4O.3ClH?
The molecular formula of C21H25ClN4O.3ClH is C21H28Cl4N4O.
What is the molecular weight of C21H25ClN4O.3ClH?
The molecular weight of C21H25ClN4O.3ClH is 492.10 g/mol.
Where can I buy C21H25ClN4O.3ClH?
You can request a quote for C21H25ClN4O.3ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H25ClN4O.3ClH?
Yes, KEHONG BIO provides custom synthesis services for C21H25ClN4O.3ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.