C20H31N7.9/2BrH
TL;DR: C20H31N7.9/2BrH (CAS 84395-85-7) is a chemical compound with molecular formula C40H71Br9N14 and molecular weight 1457.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N-(3-aminopropyl)-N'-[3-(1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-4-ylamino)propyl]butane-1,4-diamine);nonahydrobromide
Also Known As: C20H31N7.9/2BrH, C20-H31-N7.9/2Br-H, N-(3-Aminopropyl)-N'-(3-(dipyrido(1,2-a:3',2'-d)imidazol-2-ylamino)propyl)-1,4-butanediamine hydrobromide (2:9), 1,4-Butanediamine, N-(3-aminopropyl)-N'-(3-(dipyrido(1,2-a:3',2'-d)imidazol-2-ylamino)propyl)-, hydrobromide (2:9), N~1~-(3-Aminopropyl)-N~4~-{3-[(imidazo[1,2-a:5,4-b']dipyridin-2(1H)-ylidene)amino]propyl}butane-1,4-diamine--hydrogen bromide (2/9)
| Molecular Formula | C40H71Br9N14 |
|---|---|
| Molecular Weight | 1457.86 g/mol |
| LogP | 9.1865 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 26 |
| Exact Mass | 1457.8636 |
| Heavy Atoms | 63 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 84395-85-7 |
|---|---|
| SMILES | C1=CC2=NC3=C(N2C=C1)N=C(C=C3)NCCCNCCCCNCCCN.C1=CC2=NC3=C(N2C=C1)N=C(C=C3)NCCCNCCCCNCCCN.Br.Br.Br.Br.Br.Br.Br.Br.Br |
| InChIKey | RZGIVWCUAANNFL-UHFFFAOYSA-N |
Product Overview
C20H31N7.9/2BrH (CAS 84395-85-7), with molecular formula C40H71Br9N14 and molecular weight 1457.86 g/mol. IUPAC: bis(N-(3-aminopropyl)-N'-[3-(1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-4-ylamino)propyl]butane-1,4-diamine);nonahydrobromide.
Chemical Property Profile of C20H31N7.9/2BrH
Property Insights of C20H31N7.9/2BrH
The XLogP value of 9.1865 indicates that C20H31N7.9/2BrH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.0 Ų indicates high polarity, suggesting C20H31N7.9/2BrH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H31N7.9/2BrH has 17 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H31N7.9/2BrH?
The CAS number of C20H31N7.9/2BrH is 84395-85-7.
What is the molecular formula of C20H31N7.9/2BrH?
The molecular formula of C20H31N7.9/2BrH is C40H71Br9N14.
What is the molecular weight of C20H31N7.9/2BrH?
The molecular weight of C20H31N7.9/2BrH is 1457.86 g/mol.
Where can I buy C20H31N7.9/2BrH?
You can request a quote for C20H31N7.9/2BrH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H31N7.9/2BrH?
Yes, KEHONG BIO provides custom synthesis services for C20H31N7.9/2BrH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.