C31H23N5O2
TL;DR: C31H23N5O2 (CAS 848729-13-5) is a chemical compound with molecular formula C31H23N5O2 and molecular weight 497.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-1-phenyl-N-[(2-phenyl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaen-6-yl)methoxy]ethanimine
Also Known As: (1Z)-1-phenyl-N-[(14-phenyl-14H-benzo[5,6]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]ethanimine, (Z)-acetophenone O-((14-phenyl-14H-benzo[5,6]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl) oxime
| Molecular Formula | C31H23N5O2 |
|---|---|
| Molecular Weight | 497.19 g/mol |
| LogP | 6.5042 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.18518 |
| Heavy Atoms | 38 |
| Complexity | 1813.1677 |
Chemical Identifiers
| CAS Number | 848729-13-5 |
|---|---|
| SMILES | C/C(=N/OCC1=NN2C=NC3=C(C2=N1)C(C4=C(O3)C=CC5=CC=CC=C54)C6=CC=CC=C6)/C7=CC=CC=C7 |
Product Overview
C31H23N5O2 (CAS 848729-13-5), with molecular formula C31H23N5O2 and molecular weight 497.19 g/mol. IUPAC: (Z)-1-phenyl-N-[(2-phenyl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaen-6-yl)methoxy]ethanimine.
Chemical Property Profile of C31H23N5O2
Property Insights of C31H23N5O2
The XLogP value of 6.5042 indicates that C31H23N5O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C31H23N5O2. Following Lipinski's Rule of Five, C31H23N5O2 has 0 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 C31H23N5O2?
The CAS number of C31H23N5O2 is 848729-13-5.
What is the molecular formula of C31H23N5O2?
The molecular formula of C31H23N5O2 is C31H23N5O2.
What is the molecular weight of C31H23N5O2?
The molecular weight of C31H23N5O2 is 497.19 g/mol.
Where can I buy C31H23N5O2?
You can request a quote for C31H23N5O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H23N5O2?
Yes, KEHONG BIO provides custom synthesis services for C31H23N5O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.