7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione
TL;DR: 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione (CAS 5177-39-9) is a chemical compound with molecular formula C9H7ClN2O2 and molecular weight 210.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Also Known As: 7-chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-1h-benzo[e][1,4]diazepine-2,5-dione, 7-chloro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 5-Amino-2,4-dichloropyrimidine, 2,4-Dichloropyrimidin-5-ylamine
| Molecular Formula | C9H7ClN2O2 |
|---|---|
| Molecular Weight | 210.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.0196 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 5177-39-9 |
|---|---|
| SMILES | C1C(=O)NC2=C(C=C(C=C2)Cl)C(=O)N1 |
| InChIKey | DUAONSMGNHXBMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione (CAS 5177-39-9), with molecular formula C9H7ClN2O2 and molecular weight 210.02 g/mol. IUPAC: 7-chloro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.
Chemical Property Profile of 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione
Property Insights of 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione has 2 hydrogen bond donor(s) and 2 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 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione?
The CAS number of 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione is 5177-39-9.
What is the molecular formula of 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione?
The molecular formula of 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione is C9H7ClN2O2.
What is the molecular weight of 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione?
The molecular weight of 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione is 210.02 g/mol.
Where can I buy 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione?
You can request a quote for 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.