3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione
TL;DR: 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione (CAS 81225-99-2) is a chemical compound with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dihydroxy-1,5-dihydro-1,5-benzodiazepine-2,4-dione
Also Known As: 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, 3,3-dihydroxy-1,5-dihydro-1,5-benzodiazepine-2,4-dione, 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 3,3-dihydroxy-, 3,3-dihydroxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione, RefChem:270295
| Molecular Formula | C9H8N2O4 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.0484 |
| Heavy Atoms | 15 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 81225-99-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)C(C(=O)N2)(O)O |
| InChIKey | TWNFBSXWKYLBQG-UHFFFAOYSA-N |
Product Overview
3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione (CAS 81225-99-2), with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol. IUPAC: 3,3-dihydroxy-1,5-dihydro-1,5-benzodiazepine-2,4-dione.
Chemical Property Profile of 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione
Property Insights of 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione
The XLogP value of -0.6 indicates that 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione has 4 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 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione?
The CAS number of 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione is 81225-99-2.
What is the molecular formula of 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione?
The molecular formula of 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione is C9H8N2O4.
What is the molecular weight of 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione?
The molecular weight of 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione is 208.05 g/mol.
Where can I buy 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione?
You can request a quote for 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dihydroxy-1H-1,5-benzodiazepine-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.