ChemDiv1_016535
TL;DR: ChemDiv1_016535 (CAS 423138-34-5) is a chemical compound with molecular formula C23H18N4OS and molecular weight 398.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methylphenyl)-11-thiophen-2-yl-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: ChemDiv1_016535, 6-(4-methylphenyl)-7-(thiophen-2-yl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 7-Thiophen-2-yl-6-p-tolyl-7,11-dihydro-6H-5-oxa-7a,8,10,11-tetraaza-cyclopenta[b]phenanthrene, 6-(4-METHYLPHENYL)-7-(2-THIENYL)-7,12-DIHYDRO-6H-CHROMENO[4,3-D][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE, 7-(thiophen-2-yl)-6-(p-tolyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C23H18N4OS |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 5.20792 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.12012 |
| Heavy Atoms | 29 |
| Complexity | 1224.0234 |
Chemical Identifiers
| CAS Number | 423138-34-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4O2)NC5=NC=NN5C3C6=CC=CS6 |
Product Overview
ChemDiv1_016535 (CAS 423138-34-5), with molecular formula C23H18N4OS and molecular weight 398.12 g/mol. IUPAC: 9-(4-methylphenyl)-11-thiophen-2-yl-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 ChemDiv1_016535
Property Insights of ChemDiv1_016535
The XLogP value of 5.20792 indicates that ChemDiv1_016535 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.97 Ų, ChemDiv1_016535 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_016535 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 ChemDiv1_016535?
The CAS number of ChemDiv1_016535 is 423138-34-5.
What is the molecular formula of ChemDiv1_016535?
The molecular formula of ChemDiv1_016535 is C23H18N4OS.
What is the molecular weight of ChemDiv1_016535?
The molecular weight of ChemDiv1_016535 is 398.12 g/mol.
Where can I buy ChemDiv1_016535?
You can request a quote for ChemDiv1_016535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016535?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.