DUK7L5PE8Z
TL;DR: DUK7L5PE8Z (CAS 4699-79-0) is a chemical compound with molecular formula C20H21ClFN3O and molecular weight 373.14 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
Also Known As: Ro5-6227, Ro-5-6227, 7-chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-1,3-dihydro-2h-1,4-benzodiazepin-2-one, 7-Chloro-1-(3-dimethylaminopropyl)-5-(2-fluorophenyl)-1H-1,4-benzodiazepin-2(3H)-one, 7-chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
| Molecular Formula | C20H21ClFN3O |
|---|---|
| Molecular Weight | 373.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.1357 |
| Heavy Atoms | 26 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 4699-79-0 |
|---|---|
| SMILES | CN(C)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F |
| InChIKey | ZREXWFCZCPEJID-UHFFFAOYSA-N |
Product Overview
DUK7L5PE8Z (CAS 4699-79-0), with molecular formula C20H21ClFN3O and molecular weight 373.14 g/mol. IUPAC: 7-chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of DUK7L5PE8Z
Property Insights of DUK7L5PE8Z
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DUK7L5PE8Z. With a topological polar surface area (TPSA) of 35.9 Ų, DUK7L5PE8Z exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DUK7L5PE8Z has 0 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 DUK7L5PE8Z?
The CAS number of DUK7L5PE8Z is 4699-79-0.
What is the molecular formula of DUK7L5PE8Z?
The molecular formula of DUK7L5PE8Z is C20H21ClFN3O.
What is the molecular weight of DUK7L5PE8Z?
The molecular weight of DUK7L5PE8Z is 373.14 g/mol.
Where can I buy DUK7L5PE8Z?
You can request a quote for DUK7L5PE8Z directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DUK7L5PE8Z?
Yes, KEHONG BIO provides custom synthesis services for DUK7L5PE8Z and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.