RefChem:1072877
TL;DR: RefChem:1072877 (CAS 110532-50-8) is a chemical compound with molecular formula C19H18BrN3S and molecular weight 399.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-6-thiophen-2-ylphenanthridin-5-ium-3,8-diamine bromide
Also Known As: 3,8-Diamino-5-ethyl-6-(2-thienyl)phenanthridinium bromide, Phenanthridinium, 3,8-diamino-5-ethyl-6-(2-thienyl)-, bromide, 5-ethyl-6-thiophen-2-ylphenanthridin-5-ium-3,8-diamine bromide, 5-Ethyl-3-imino-6-(thiophen-2-yl)-3,5-dihydrophenanthridin-8-amine--hydrogen bromide (1/1), RefChem:1072877
| Molecular Formula | C19H18BrN3S |
|---|---|
| Molecular Weight | 399.04 g/mol |
| LogP | 1.1973 |
| Topological Polar Surface Area | 55.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.04047 |
| Heavy Atoms | 24 |
| Complexity | 1026.0795 |
Chemical Identifiers
| CAS Number | 110532-50-8 |
|---|---|
| SMILES | CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CS4)N)N.[Br-] |
Product Overview
RefChem:1072877 (CAS 110532-50-8), with molecular formula C19H18BrN3S and molecular weight 399.04 g/mol. IUPAC: 5-ethyl-6-thiophen-2-ylphenanthridin-5-ium-3,8-diamine bromide.
Chemical Property Profile of RefChem:1072877
Property Insights of RefChem:1072877
The XLogP value of 1.1973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1072877. With a topological polar surface area (TPSA) of 55.92 Ų, RefChem:1072877 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1072877 has 2 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 RefChem:1072877?
The CAS number of RefChem:1072877 is 110532-50-8.
What is the molecular formula of RefChem:1072877?
The molecular formula of RefChem:1072877 is C19H18BrN3S.
What is the molecular weight of RefChem:1072877?
The molecular weight of RefChem:1072877 is 399.04 g/mol.
Where can I buy RefChem:1072877?
You can request a quote for RefChem:1072877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072877?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.