RefChem:309819
TL;DR: RefChem:309819 (CAS 113825-86-8) is a chemical compound with molecular formula C22H24ClN5O3S and molecular weight 473.12885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-N,N-bis(2-hydroxyethyl)propanamide
Also Known As: 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, N,N-bis(2-hydroxyethyl)-4-(2-chlorophenyl)-9-methyl-, 3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-N,N-bis(2-hydroxyethyl)propanamide
Technical Specifications
| Molecular Formula | C22H24ClN5O3S |
| Molecular Weight | 473.12885 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.12885 Da |
| Heavy Atoms | 32 |
| Complexity | 680.0 |
| SMILES | CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N(CCO)CCO)C(=NC2)C4=CC=CC=C4Cl |
| InChIKey | OVFJXJGRHMWYIE-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:309819
Property Insights of RefChem:309819
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:309819. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:309819. Following Lipinski's Rule of Five, RefChem:309819 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:309819?
The CAS number of RefChem:309819 is 113825-86-8.
What is the molecular formula of RefChem:309819?
The molecular formula of RefChem:309819 is C22H24ClN5O3S.
What is the molecular weight of RefChem:309819?
The molecular weight of RefChem:309819 is 473.12885 g/mol.
Where can I buy RefChem:309819?
You can request a quote for RefChem:309819 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:309819?
Yes, CoreyChem provides custom synthesis services for RefChem:309819 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.