C29H23N7O2S
TL;DR: C29H23N7O2S (CAS 847176-98-1) is a chemical compound with molecular formula C29H23N7O2S and molecular weight 533.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(14-methyl-12,16-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaen-4-yl)methoxy]-1-thiophen-2-ylethanimine
Also Known As: (1E)-N-[(10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]-1-(thiophen-2-yl)ethanimine, (E)-1-(thiophen-2-yl)ethanone O-((10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl) oxime
| Molecular Formula | C29H23N7O2S |
|---|---|
| Molecular Weight | 533.16 g/mol |
| LogP | 5.90662 |
| Topological Polar Surface Area | 91.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.1634 |
| Heavy Atoms | 39 |
| Complexity | 1809.3789 |
Chemical Identifiers
| CAS Number | 847176-98-1 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C3=C(O2)N=CN4C3=NC(=N4)CO/N=C(\C)/C5=CC=CS5)C6=CC=CC=C6)C7=CC=CC=C7 |
Product Overview
C29H23N7O2S (CAS 847176-98-1), with molecular formula C29H23N7O2S and molecular weight 533.16 g/mol. IUPAC: (E)-N-[(14-methyl-12,16-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaen-4-yl)methoxy]-1-thiophen-2-ylethanimine.
Chemical Property Profile of C29H23N7O2S
Property Insights of C29H23N7O2S
The XLogP value of 5.90662 indicates that C29H23N7O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.72 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H23N7O2S. Following Lipinski's Rule of Five, C29H23N7O2S has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C29H23N7O2S?
The CAS number of C29H23N7O2S is 847176-98-1.
What is the molecular formula of C29H23N7O2S?
The molecular formula of C29H23N7O2S is C29H23N7O2S.
What is the molecular weight of C29H23N7O2S?
The molecular weight of C29H23N7O2S is 533.16 g/mol.
Where can I buy C29H23N7O2S?
You can request a quote for C29H23N7O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H23N7O2S?
Yes, KEHONG BIO provides custom synthesis services for C29H23N7O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.