C44H46N6O2.2Cl
TL;DR: C44H46N6O2.2Cl (CAS 74517-53-6) is a chemical compound with molecular formula C44H46Cl2N6O2 and molecular weight 760.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-[1-[2-(9-hydroxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium-10-ol dichloride
Also Known As: 7H-Pyrido(3,4-c)carbazolium, 3,3'-((4,4'-bipiperidine)-1,1'-diyldi-2,1-ethanediyl)bis(10-hydroxy-, dichloride, 7H-Pyrido(4,3-c)carbazolium, 2,2'-((4,4'-bipiperidine)-1,1'-diyldi-2,1-ethanediyl)bis(10-hydroxy-, dichloride, 2-[2-[4-[1-[2-(9-hydroxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium-10-ol dichloride
| Molecular Formula | C44H46Cl2N6O2 |
|---|---|
| Molecular Weight | 760.31 g/mol |
| LogP | 1.3804 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 760.3059 |
| Heavy Atoms | 54 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 74517-53-6 |
|---|---|
| SMILES | C1CN(CCC1C2CCN(CC2)CC[N+]3=CC4=C(C=CC5=C4C6=C(N5)C=CC(=C6)O)C=C3)CC[N+]7=CC8=C(C=CC9=C8C1=C(N9)C=C(C=C1)O)C=C7.[Cl-].[Cl-] |
| InChIKey | VVOVQIYMXFTJKR-UHFFFAOYSA-N |
Product Overview
C44H46N6O2.2Cl (CAS 74517-53-6), with molecular formula C44H46Cl2N6O2 and molecular weight 760.31 g/mol. IUPAC: 2-[2-[4-[1-[2-(9-hydroxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium-10-ol dichloride.
Chemical Property Profile of C44H46N6O2.2Cl
Property Insights of C44H46N6O2.2Cl
The XLogP value of 1.3804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C44H46N6O2.2Cl. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C44H46N6O2.2Cl. Following Lipinski's Rule of Five, C44H46N6O2.2Cl has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C44H46N6O2.2Cl?
The CAS number of C44H46N6O2.2Cl is 74517-53-6.
What is the molecular formula of C44H46N6O2.2Cl?
The molecular formula of C44H46N6O2.2Cl is C44H46Cl2N6O2.
What is the molecular weight of C44H46N6O2.2Cl?
The molecular weight of C44H46N6O2.2Cl is 760.31 g/mol.
Where can I buy C44H46N6O2.2Cl?
You can request a quote for C44H46N6O2.2Cl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C44H46N6O2.2Cl?
Yes, KEHONG BIO provides custom synthesis services for C44H46N6O2.2Cl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.