ChemDiv1_004278
TL;DR: ChemDiv1_004278 (CAS 326869-52-7) is a chemical compound with molecular formula C22H25N5OS and molecular weight 407.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12,14,14-tetramethyl-4-[(2-methylphenoxy)methyl]-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: ChemDiv1_004278, BAS 01024192, 8,8,10,10-tetramethyl-2-((o-tolyloxy)methyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 12,12,14,14-TETRAMETHYL-4-(2-METHYLPHENOXYMETHYL)-10-THIA-3,5,6,8,13-PENTAAZATETRACYCLO[7.7.0.0(2),?.0(1)(1),(1)?]HEXADECA-1(9),2,4,7,11(16)-PENTAENE, 2-METHYLPHENYL [(8,8,10,10-TETRAMETHYL-8,9,10,11-TETRAHYDROPYRIDO[4',3':4,5]THIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL)METHYL] ETHER
| Molecular Formula | C22H25N5OS |
|---|---|
| Molecular Weight | 407.18 g/mol |
| LogP | 4.38582 |
| Topological Polar Surface Area | 64.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.17798 |
| Heavy Atoms | 29 |
| Complexity | 1236.9452 |
Chemical Identifiers
| CAS Number | 326869-52-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN3C=NC4=C(C3=N2)C5=C(S4)C(NC(C5)(C)C)(C)C |
Product Overview
ChemDiv1_004278 (CAS 326869-52-7), with molecular formula C22H25N5OS and molecular weight 407.18 g/mol. IUPAC: 12,12,14,14-tetramethyl-4-[(2-methylphenoxy)methyl]-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of ChemDiv1_004278
Property Insights of ChemDiv1_004278
The XLogP value of 4.38582 indicates that ChemDiv1_004278 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004278. Following Lipinski's Rule of Five, ChemDiv1_004278 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004278?
The CAS number of ChemDiv1_004278 is 326869-52-7.
What is the molecular formula of ChemDiv1_004278?
The molecular formula of ChemDiv1_004278 is C22H25N5OS.
What is the molecular weight of ChemDiv1_004278?
The molecular weight of ChemDiv1_004278 is 407.18 g/mol.
Where can I buy ChemDiv1_004278?
You can request a quote for ChemDiv1_004278 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004278?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004278 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.