RefChem:267896
TL;DR: RefChem:267896 (CAS 77778-70-2) is a chemical compound with molecular formula C28H30Cl2N4O and molecular weight 508.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,4-benzodiazepin-2-one;hydrochloride
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(3-(4-phenyl-1-piperazinyl)propyl)-, monohydrochloride, 7-Chloro-5-phenyl-1-(3-(3-phenylpiperazino)propyl)-1,3-dihydro-1,4-benzodiazepin-2-one HCl, 7-chloro-5-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,4-benzodiazepin-2-one hydrochloride, 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-5-PHENYL-1-(3-(4-PHENYL-1-PIPER, 7-Chloro-5-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-dihydro-2H-1,4-benzodiazepin-2-one--hydrogen chloride (1/1)
| Molecular Formula | C28H30Cl2N4O |
|---|---|
| Molecular Weight | 508.18 g/mol |
| LogP | 5.16 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.17966 |
| Heavy Atoms | 35 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 77778-70-2 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)C5=CC=CC=C5.Cl |
| InChIKey | VFUDGTGISCQKOY-UHFFFAOYSA-N |
Product Overview
RefChem:267896 (CAS 77778-70-2), with molecular formula C28H30Cl2N4O and molecular weight 508.18 g/mol. IUPAC: 7-chloro-5-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,4-benzodiazepin-2-one;hydrochloride.
Chemical Property Profile of RefChem:267896
Property Insights of RefChem:267896
The XLogP value of 5.16 indicates that RefChem:267896 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, RefChem:267896 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:267896 has 1 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:267896?
The CAS number of RefChem:267896 is 77778-70-2.
What is the molecular formula of RefChem:267896?
The molecular formula of RefChem:267896 is C28H30Cl2N4O.
What is the molecular weight of RefChem:267896?
The molecular weight of RefChem:267896 is 508.18 g/mol.
Where can I buy RefChem:267896?
You can request a quote for RefChem:267896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267896?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.