RefChem:1057393
TL;DR: RefChem:1057393 (CAS 63915-70-8) is a chemical compound with molecular formula C17H20ClN3O and molecular weight 317.1295 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl-[3-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)propyl]azanium chloride
Also Known As: CI 600, 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(3-(methylamino)propyl)-, monohydrochloride, hydrate, methyl-[3-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)propyl]azanium chloride, 11H-Dibenzo[b,e][1,4]diazepin-11-one, 5,10-dihydro-5-[3-(methylamino)propyl]-, monohydrochloride, monohydrate
Technical Specifications
| Molecular Formula | C17H20ClN3O |
| Molecular Weight | 317.1295 g/mol |
| XLogP | -1.02 |
| Topological Polar Surface Area (TPSA) | 49.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.1295 Da |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
| SMILES | C[NH2+]CCCN1C2=CC=CC=C2C(=O)NC3=CC=CC=C31.[Cl-] |
| InChIKey | PFPPOKZNVNZYRS-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1057393
Property Insights of RefChem:1057393
The XLogP value of -1.02 indicates that RefChem:1057393 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.0 Ų, RefChem:1057393 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057393 has 2 hydrogen bond donor(s) and 3 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:1057393?
The CAS number of RefChem:1057393 is 63915-70-8.
What is the molecular formula of RefChem:1057393?
The molecular formula of RefChem:1057393 is C17H20ClN3O.
What is the molecular weight of RefChem:1057393?
The molecular weight of RefChem:1057393 is 317.1295 g/mol.
Where can I buy RefChem:1057393?
You can request a quote for RefChem:1057393 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1057393?
Yes, CoreyChem provides custom synthesis services for RefChem:1057393 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.