C35H43Cl2N7.3ClH.3/2H2O
TL;DR: C35H43Cl2N7.3ClH.3/2H2O (CAS 159277-20-0) is a chemical compound with molecular formula C35H46Cl5N7 and molecular weight 739.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-[6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]hexyl]aniline;trihydrochloride
Also Known As: C35H43Cl2N7.3ClH.3/2H2O, C35-H43-Cl2-N7.3Cl-H.3/2H2-O, Benzenamine, N,N-bis(2-chloroethyl)-4-(6-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)hexyl)-, hydrochloride, hydrate (2:6:3), N,N-bis(2-chloroethyl)-4-[6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]hexyl]aniline trihydrochloride, N,N-Bis(2-chloroethyl)-4-{6-[6-(4-methylpiperazin-1-yl)-1H,3'H-[2,5'-bi-1,3-benzimidazol]-2'-yl]hexyl}aniline--hydrogen chloride (1/3)
| Molecular Formula | C35H46Cl5N7 |
|---|---|
| Molecular Weight | 739.23 g/mol |
| LogP | 8.753 |
| Topological Polar Surface Area | 67.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 739.2257 |
| Heavy Atoms | 47 |
| Complexity | 1641.729 |
Chemical Identifiers
| CAS Number | 159277-20-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)CCCCCCC6=CC=C(C=C6)N(CCCl)CCCl.Cl.Cl.Cl |
Product Overview
C35H43Cl2N7.3ClH.3/2H2O (CAS 159277-20-0), with molecular formula C35H46Cl5N7 and molecular weight 739.23 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-[6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]hexyl]aniline;trihydrochloride.
Chemical Property Profile of C35H43Cl2N7.3ClH.3/2H2O
Property Insights of C35H43Cl2N7.3ClH.3/2H2O
The XLogP value of 8.753 indicates that C35H43Cl2N7.3ClH.3/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.08 Ų falls within the moderate polarity range, balancing permeability and solubility for C35H43Cl2N7.3ClH.3/2H2O. Following Lipinski's Rule of Five, C35H43Cl2N7.3ClH.3/2H2O has 2 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 C35H43Cl2N7.3ClH.3/2H2O?
The CAS number of C35H43Cl2N7.3ClH.3/2H2O is 159277-20-0.
What is the molecular formula of C35H43Cl2N7.3ClH.3/2H2O?
The molecular formula of C35H43Cl2N7.3ClH.3/2H2O is C35H46Cl5N7.
What is the molecular weight of C35H43Cl2N7.3ClH.3/2H2O?
The molecular weight of C35H43Cl2N7.3ClH.3/2H2O is 739.23 g/mol.
Where can I buy C35H43Cl2N7.3ClH.3/2H2O?
You can request a quote for C35H43Cl2N7.3ClH.3/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C35H43Cl2N7.3ClH.3/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C35H43Cl2N7.3ClH.3/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.