RefChem:305612
TL;DR: RefChem:305612 (CAS 1163-09-3) is a chemical compound with molecular formula C18H20ClN3O and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[3-(dimethylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one
Also Known As: 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-7-chloro-10-(3-(dimethylamino)propyl)-, 10,11-Dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepine, 7-chloro-10-(3-(dimethylamino)propyl)-, 2-chloro-5-[3-(dimethylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one, 10,11-Dihydro-7-chloro-10-[3-(dimethylamino)propyl]-5H-dibenzo[b,e][1,4]diazepin-11-one, 5H-DIBENZO(b,e)(1,4)DIAZEPIN-11-ONE, 10,11-DIHYDRO-7-CHLORO-10-(3-(DIMETHYLAMINO
| Molecular Formula | C18H20ClN3O |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.1295 |
| Heavy Atoms | 23 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 1163-09-3 |
|---|---|
| SMILES | CN(C)CCCN1C2=C(C=C(C=C2)Cl)NC3=CC=CC=C3C1=O |
| InChIKey | ONZPYYBDRDYTAH-UHFFFAOYSA-N |
Product Overview
RefChem:305612 (CAS 1163-09-3), with molecular formula C18H20ClN3O and molecular weight 329.13 g/mol. IUPAC: 2-chloro-5-[3-(dimethylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one.
Chemical Property Profile of RefChem:305612
Property Insights of RefChem:305612
The XLogP value of 3.6 indicates that RefChem:305612 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, RefChem:305612 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305612 has 1 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 RefChem:305612?
The CAS number of RefChem:305612 is 1163-09-3.
What is the molecular formula of RefChem:305612?
The molecular formula of RefChem:305612 is C18H20ClN3O.
What is the molecular weight of RefChem:305612?
The molecular weight of RefChem:305612 is 329.13 g/mol.
Where can I buy RefChem:305612?
You can request a quote for RefChem:305612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305612?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.