C31H27N5O5
TL;DR: C31H27N5O5 (CAS 840517-92-2) is a chemical compound with molecular formula C31H27N5O5 and molecular weight 549.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-N-[[11,12-bis(4-methoxyphenyl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-(4-methoxyphenyl)ethanimine
Also Known As: (1Z)-N-{[8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy}-1-(4-methoxyphenyl)ethanimine, (Z)-1-(4-methoxyphenyl)ethanone O-((8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl) oxime
| Molecular Formula | C31H27N5O5 |
|---|---|
| Molecular Weight | 549.20 g/mol |
| LogP | 6.1711 |
| Topological Polar Surface Area | 105.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.20123 |
| Heavy Atoms | 41 |
| Complexity | 1839.6722 |
Chemical Identifiers
| CAS Number | 840517-92-2 |
|---|---|
| SMILES | C/C(=N/OCC1=NN2C=NC3=C(C2=N1)C(=C(O3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)/C6=CC=C(C=C6)OC |
Product Overview
C31H27N5O5 (CAS 840517-92-2), with molecular formula C31H27N5O5 and molecular weight 549.20 g/mol. IUPAC: (Z)-N-[[11,12-bis(4-methoxyphenyl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-(4-methoxyphenyl)ethanimine.
Chemical Property Profile of C31H27N5O5
Property Insights of C31H27N5O5
The XLogP value of 6.1711 indicates that C31H27N5O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.5 Ų falls within the moderate polarity range, balancing permeability and solubility for C31H27N5O5. Following Lipinski's Rule of Five, C31H27N5O5 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C31H27N5O5?
The CAS number of C31H27N5O5 is 840517-92-2.
What is the molecular formula of C31H27N5O5?
The molecular formula of C31H27N5O5 is C31H27N5O5.
What is the molecular weight of C31H27N5O5?
The molecular weight of C31H27N5O5 is 549.20 g/mol.
Where can I buy C31H27N5O5?
You can request a quote for C31H27N5O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H27N5O5?
Yes, KEHONG BIO provides custom synthesis services for C31H27N5O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.