C29H28N4OS
TL;DR: C29H28N4OS (CAS 877778-27-3) is a chemical compound with molecular formula C29H28N4OS and molecular weight 480.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-methylphenyl)-14-methylsulfanyl-9-(4-propan-2-ylphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
Also Known As: 6-(4-isopropylphenyl)-10-(methylthio)-7-(p-tolyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 7-(4-methylphenyl)-10-(methylsulfanyl)-6-[4-(propan-2-yl)phenyl]-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C29H28N4OS |
|---|---|
| Molecular Weight | 480.20 g/mol |
| LogP | 6.99172 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.1984 |
| Heavy Atoms | 35 |
| Complexity | 1420.0796 |
Chemical Identifiers
| CAS Number | 877778-27-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4OC3C5=CC=C(C=C5)C(C)C)NC6=NC(=NN26)SC |
Product Overview
C29H28N4OS (CAS 877778-27-3), with molecular formula C29H28N4OS and molecular weight 480.20 g/mol. IUPAC: 11-(4-methylphenyl)-14-methylsulfanyl-9-(4-propan-2-ylphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene.
Chemical Property Profile of C29H28N4OS
Property Insights of C29H28N4OS
The XLogP value of 6.99172 indicates that C29H28N4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.97 Ų, C29H28N4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C29H28N4OS has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C29H28N4OS?
The CAS number of C29H28N4OS is 877778-27-3.
What is the molecular formula of C29H28N4OS?
The molecular formula of C29H28N4OS is C29H28N4OS.
What is the molecular weight of C29H28N4OS?
The molecular weight of C29H28N4OS is 480.20 g/mol.
Where can I buy C29H28N4OS?
You can request a quote for C29H28N4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H28N4OS?
Yes, KEHONG BIO provides custom synthesis services for C29H28N4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.