RefChem:357755
TL;DR: RefChem:357755 (CAS 113825-88-0) is a chemical compound with molecular formula C22H21BrClN5O2S and molecular weight 533.0288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[13-(bromomethyl)-7-(2-chlorophenyl)-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-(bromomethyl)-4-(2-chlorophenyl)-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-, 3-[9-(Bromomethyl)-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(morpholin-4-yl)propan-1-one
Technical Specifications
| Molecular Formula | C22H21BrClN5O2S |
| Molecular Weight | 533.0288 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 533.0288 Da |
| Heavy Atoms | 32 |
| Complexity | 712.0 |
| SMILES | C1COCCN1C(=O)CCC2=CC3=C(S2)N4C(=NN=C4CBr)CN=C3C5=CC=CC=C5Cl |
| InChIKey | YDMJCEGWVXLXTB-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:357755
Property Insights of RefChem:357755
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:357755. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:357755. Following Lipinski's Rule of Five, RefChem:357755 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:357755?
The CAS number of RefChem:357755 is 113825-88-0.
What is the molecular formula of RefChem:357755?
The molecular formula of RefChem:357755 is C22H21BrClN5O2S.
What is the molecular weight of RefChem:357755?
The molecular weight of RefChem:357755 is 533.0288 g/mol.
Where can I buy RefChem:357755?
You can request a quote for RefChem:357755 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:357755?
Yes, CoreyChem provides custom synthesis services for RefChem:357755 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.