ChemDiv1_002953
TL;DR: ChemDiv1_002953 (CAS 333774-68-8) is a chemical compound with molecular formula C20H21N5OS and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(12,12,14,14-tetramethyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)phenol
Also Known As: ChemDiv1_002953, BAS 01024126, AB00096647-01, 2-(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)phenol, 2-{12,12,14,14-TETRAMETHYL-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)-PENTAEN-4-YL}PHENOL
| Molecular Formula | C20H21N5OS |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 3.871 |
| Topological Polar Surface Area | 75.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 379.14667 |
| Heavy Atoms | 27 |
| Complexity | 1204.004 |
Chemical Identifiers
| CAS Number | 333774-68-8 |
|---|---|
| SMILES | CC1(CC2=C(C(N1)(C)C)SC3=C2C4=NC(=NN4C=N3)C5=CC=CC=C5O)C |
Product Overview
ChemDiv1_002953 (CAS 333774-68-8), with molecular formula C20H21N5OS and molecular weight 379.15 g/mol. IUPAC: 2-(12,12,14,14-tetramethyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)phenol.
Chemical Property Profile of ChemDiv1_002953
Property Insights of ChemDiv1_002953
The XLogP value of 3.871 indicates that ChemDiv1_002953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002953. Following Lipinski's Rule of Five, ChemDiv1_002953 has 2 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_002953?
The CAS number of ChemDiv1_002953 is 333774-68-8.
What is the molecular formula of ChemDiv1_002953?
The molecular formula of ChemDiv1_002953 is C20H21N5OS.
What is the molecular weight of ChemDiv1_002953?
The molecular weight of ChemDiv1_002953 is 379.15 g/mol.
Where can I buy ChemDiv1_002953?
You can request a quote for ChemDiv1_002953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002953?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.