CI 600
TL;DR: CI 600 (CAS 13450-70-9) is a chemical compound with molecular formula C17H19N3O and molecular weight 281.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[3-(methylamino)propyl]-5H-benzo[b][1,4]benzodiazepin-6-one
Also Known As: Methylaminopropyldibenzodiazepinone, 11-[3-(methylamino)propyl]-5H-benzo[b][1,4]benzodiazepin-6-one, 5,10-Dihydro-5-(3-(methylamino)propyl)-11H-dibenzo(b,e)(1,4)diazepin-11-one, 11H-Dibenzo[b,e][1,4]diazepin-11-one, 5,10-dihydro-5-[3-(methylamino)propyl]-, 5-(3-(methylamino)propyl)-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one
| Molecular Formula | C17H19N3O |
|---|---|
| Molecular Weight | 281.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.1528 |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 13450-70-9 |
|---|---|
| SMILES | CNCCCN1C2=CC=CC=C2C(=O)NC3=CC=CC=C31 |
| InChIKey | XOMDALGJAOGYEC-UHFFFAOYSA-N |
Product Overview
CI 600 (CAS 13450-70-9), with molecular formula C17H19N3O and molecular weight 281.15 g/mol. IUPAC: 11-[3-(methylamino)propyl]-5H-benzo[b][1,4]benzodiazepin-6-one.
Chemical Property Profile of CI 600
Property Insights of CI 600
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CI 600. With a topological polar surface area (TPSA) of 44.4 Ų, CI 600 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CI 600 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
Frequently Asked Questions
What is the CAS number of CI 600?
The CAS number of CI 600 is 13450-70-9.
What is the molecular formula of CI 600?
The molecular formula of CI 600 is C17H19N3O.
What is the molecular weight of CI 600?
The molecular weight of CI 600 is 281.15 g/mol.
Where can I buy CI 600?
You can request a quote for CI 600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CI 600?
Yes, KEHONG BIO provides custom synthesis services for CI 600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.