C26H17Cl2N5O
TL;DR: C26H17Cl2N5O (CAS 836634-03-8) is a chemical compound with molecular formula C26H17Cl2N5O and molecular weight 485.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(3-chloro-4-methylphenyl)-13-[(4-chlorophenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Also Known As: 11-(3-chloro-4-methylphenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 3-(4-chlorobenzyl)-11-(3-chloro-4-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C26H17Cl2N5O |
|---|---|
| Molecular Weight | 485.08 g/mol |
| LogP | 5.94712 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 485.08102 |
| Heavy Atoms | 34 |
| Complexity | 1788.1183 |
Chemical Identifiers
| CAS Number | 836634-03-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC6=CC=C(C=C6)Cl)Cl |
Product Overview
C26H17Cl2N5O (CAS 836634-03-8), with molecular formula C26H17Cl2N5O and molecular weight 485.08 g/mol. IUPAC: 17-(3-chloro-4-methylphenyl)-13-[(4-chlorophenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
Chemical Property Profile of C26H17Cl2N5O
Property Insights of C26H17Cl2N5O
The XLogP value of 5.94712 indicates that C26H17Cl2N5O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for C26H17Cl2N5O. Following Lipinski's Rule of Five, C26H17Cl2N5O has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C26H17Cl2N5O?
The CAS number of C26H17Cl2N5O is 836634-03-8.
What is the molecular formula of C26H17Cl2N5O?
The molecular formula of C26H17Cl2N5O is C26H17Cl2N5O.
What is the molecular weight of C26H17Cl2N5O?
The molecular weight of C26H17Cl2N5O is 485.08 g/mol.
Where can I buy C26H17Cl2N5O?
You can request a quote for C26H17Cl2N5O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H17Cl2N5O?
Yes, KEHONG BIO provides custom synthesis services for C26H17Cl2N5O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.