1,4-Butanediamine, N-9-acridinyl-, dihydrochloride
TL;DR: 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride (CAS 58903-53-0) is a chemical compound with molecular formula C17H21Cl2N3 and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-acridin-9-ylbutane-1,4-diamine;dihydrochloride
Also Known As: 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride, N-9-Acridinyl-1,4-butanediamine dihydrochloride, N'-acridin-9-ylbutane-1,4-diamine dihydrochloride, N~1~-(Acridin-9-yl)butane-1,4-diamine--hydrogen chloride (1/2)
| Molecular Formula | C17H21Cl2N3 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 4.3824 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.11127 |
| Heavy Atoms | 22 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 58903-53-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCN.Cl.Cl |
| InChIKey | QZMVYVJPLUNQLY-UHFFFAOYSA-N |
Product Overview
1,4-Butanediamine, N-9-acridinyl-, dihydrochloride (CAS 58903-53-0), with molecular formula C17H21Cl2N3 and molecular weight 337.11 g/mol. IUPAC: N'-acridin-9-ylbutane-1,4-diamine;dihydrochloride.
Chemical Property Profile of 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride
Property Insights of 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride
The XLogP value of 4.3824 indicates that 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride has 4 hydrogen bond donor(s) and 3 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 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride?
The CAS number of 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride is 58903-53-0.
What is the molecular formula of 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride?
The molecular formula of 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride is C17H21Cl2N3.
What is the molecular weight of 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride?
The molecular weight of 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride is 337.11 g/mol.
Where can I buy 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride?
You can request a quote for 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Butanediamine, N-9-acridinyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.