C27H20ClN5O
TL;DR: C27H20ClN5O (CAS 836626-34-7) is a chemical compound with molecular formula C27H20ClN5O and molecular weight 465.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[(4-chlorophenyl)methyl]-17-(3,5-dimethylphenyl)-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: 3-(4-chlorobenzyl)-11-(3,5-dimethylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one, 3-(4-chlorobenzyl)-11-(3,5-dimethylphenyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
| Molecular Formula | C27H20ClN5O |
|---|---|
| Molecular Weight | 465.14 g/mol |
| LogP | 5.60214 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 465.13565 |
| Heavy Atoms | 34 |
| Complexity | 1763.6978 |
Chemical Identifiers
| CAS Number | 836626-34-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC6=CC=C(C=C6)Cl)C |
Product Overview
C27H20ClN5O (CAS 836626-34-7), with molecular formula C27H20ClN5O and molecular weight 465.14 g/mol. IUPAC: 13-[(4-chlorophenyl)methyl]-17-(3,5-dimethylphenyl)-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 C27H20ClN5O
Property Insights of C27H20ClN5O
The XLogP value of 5.60214 indicates that C27H20ClN5O 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 C27H20ClN5O. Following Lipinski's Rule of Five, C27H20ClN5O 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 C27H20ClN5O?
The CAS number of C27H20ClN5O is 836626-34-7.
What is the molecular formula of C27H20ClN5O?
The molecular formula of C27H20ClN5O is C27H20ClN5O.
What is the molecular weight of C27H20ClN5O?
The molecular weight of C27H20ClN5O is 465.14 g/mol.
Where can I buy C27H20ClN5O?
You can request a quote for C27H20ClN5O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H20ClN5O?
Yes, KEHONG BIO provides custom synthesis services for C27H20ClN5O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.