RefChem:267876
TL;DR: RefChem:267876 (CAS 4130-75-0) is a chemical compound with molecular formula C22H27Cl3FN3O and molecular weight 473.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-[3-(diethylamino)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-(diethylamino)propyl)-5-(o-fluorophenyl)-, dihydrochloride, 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-1-(3-(DIETHYLAMINO)PROPYL)-5-(o, 7-chloro-1-[3-(diethylamino)propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one,7-chloro-1-[3-(diethylamino)propyl]-5-(2-fluorophenyl)-1,3-dihydro-,hydrochloride (1:2), 7-Chloro-1-[3-(diethylamino)propyl]-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one--hydrogen chloride (1/2)
| Molecular Formula | C22H27Cl3FN3O |
|---|---|
| Molecular Weight | 473.12 g/mol |
| LogP | 5.24 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.12036 |
| Heavy Atoms | 30 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 4130-75-0 |
|---|---|
| SMILES | CCN(CC)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.Cl.Cl |
| InChIKey | QUYLCUGBYNYTMQ-UHFFFAOYSA-N |
Product Overview
RefChem:267876 (CAS 4130-75-0), with molecular formula C22H27Cl3FN3O and molecular weight 473.12 g/mol. IUPAC: 7-chloro-1-[3-(diethylamino)propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one;dihydrochloride.
Chemical Property Profile of RefChem:267876
Property Insights of RefChem:267876
The XLogP value of 5.24 indicates that RefChem:267876 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:267876 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:267876 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:267876?
The CAS number of RefChem:267876 is 4130-75-0.
What is the molecular formula of RefChem:267876?
The molecular formula of RefChem:267876 is C22H27Cl3FN3O.
What is the molecular weight of RefChem:267876?
The molecular weight of RefChem:267876 is 473.12 g/mol.
Where can I buy RefChem:267876?
You can request a quote for RefChem:267876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267876?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.