RefChem:357758
TL;DR: RefChem:357758 (CAS 105219-70-3) is a chemical compound with molecular formula C22H23N5O2S and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(13-methyl-7-phenyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl)-1-morpholin-4-ylpropan-1-one
Also Known As: Morpholine, 4-(3-(9-methyl-4-phenyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-, 3-(9-Methyl-4-phenyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl)-1-(morpholin-4-yl)propan-1-one, RefChem:357758
| Molecular Formula | C22H23N5O2S |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 2.77962 |
| Topological Polar Surface Area | 72.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.15726 |
| Heavy Atoms | 30 |
| Complexity | 1096.1882 |
Chemical Identifiers
| CAS Number | 105219-70-3 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5 |
Product Overview
RefChem:357758 (CAS 105219-70-3), with molecular formula C22H23N5O2S and molecular weight 421.16 g/mol. IUPAC: 3-(13-methyl-7-phenyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl)-1-morpholin-4-ylpropan-1-one.
Chemical Property Profile of RefChem:357758
Property Insights of RefChem:357758
The XLogP value of 2.77962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:357758. The TPSA of 72.61 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:357758. Following Lipinski's Rule of Five, RefChem:357758 has 0 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 RefChem:357758?
The CAS number of RefChem:357758 is 105219-70-3.
What is the molecular formula of RefChem:357758?
The molecular formula of RefChem:357758 is C22H23N5O2S.
What is the molecular weight of RefChem:357758?
The molecular weight of RefChem:357758 is 421.16 g/mol.
Where can I buy RefChem:357758?
You can request a quote for RefChem:357758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:357758?
Yes, KEHONG BIO provides custom synthesis services for RefChem:357758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.