RefChem:267878
TL;DR: RefChem:267878 (CAS 4130-72-7) is a chemical compound with molecular formula C20H23Cl3FN3O and molecular weight 445.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one;dihydrochloride
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-(dimethylamino)propyl)-5-(o-fluorophenyl)-, dihydrochloride, 7-chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one dihydrochloride, 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-1-(3-(DIMETHYLAMINO)PROPYL)-5-(, 2H-1,4-BENZODIAZEPIN-2-ONE, 7-CHLORO-1-(3-(DIMETHYLAMINO)PROPYL)-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-, DIHYDROCHLORIDE, 2H-1,4-BENZODIAZEPIN-2-ONE, 7-CHLORO-1-(3-(DIMETHYLAMINO)PROPYL)-5-(O-FLUOROPHENYL)-1,3-DIHYDRO-, DIHYDROCHLORIDE
| Molecular Formula | C20H23Cl3FN3O |
|---|---|
| Molecular Weight | 445.09 g/mol |
| LogP | 4.46 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.08908 |
| Heavy Atoms | 28 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 4130-72-7 |
|---|---|
| SMILES | CN(C)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.Cl.Cl |
| InChIKey | JZHPERDCMWAKPD-UHFFFAOYSA-N |
Product Overview
RefChem:267878 (CAS 4130-72-7), with molecular formula C20H23Cl3FN3O and molecular weight 445.09 g/mol. IUPAC: 7-chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one;dihydrochloride.
Chemical Property Profile of RefChem:267878
Property Insights of RefChem:267878
The XLogP value of 4.46 indicates that RefChem:267878 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, RefChem:267878 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:267878 has 2 hydrogen bond donor(s) and 4 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:267878?
The CAS number of RefChem:267878 is 4130-72-7.
What is the molecular formula of RefChem:267878?
The molecular formula of RefChem:267878 is C20H23Cl3FN3O.
What is the molecular weight of RefChem:267878?
The molecular weight of RefChem:267878 is 445.09 g/mol.
Where can I buy RefChem:267878?
You can request a quote for RefChem:267878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267878?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.