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2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione
TL;DR: 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione (CAS 673452-72-7) is a chemical compound with molecular formula C17H21N3O2 and molecular weight 299.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione
Also Known As: 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione, 2-hexyl-1,2-dihydrobenzo[b]pyrrolo[3,4-e][1,4]diazepine-3,10(4H,9H)-dione, 2-hexyl-10-hydroxy-1,4-dihydropyrrolo[3,4-b][1,5]benzodiazepin-3(2H)-one
| Molecular Formula | C17H21N3O2 |
|---|---|
| Molecular Weight | 299.16 g/mol |
| LogP | 2.7272 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.1634 |
| Heavy Atoms | 22 |
| Complexity | 636.54614 |
Chemical Identifiers
| CAS Number | 673452-72-7 |
|---|---|
| SMILES | CCCCCCN1CC2=C(C1=O)NC3=CC=CC=C3NC2=O |
Product Overview
2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione (CAS 673452-72-7), with molecular formula C17H21N3O2 and molecular weight 299.16 g/mol. IUPAC: 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione.
Chemical Property Profile of 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione
Property Insights of 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione
The XLogP value of 2.7272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione. Following Lipinski's Rule of Five, 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione has 2 hydrogen bond donor(s) and 3 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 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione?
The CAS number of 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione is 673452-72-7.
What is the molecular formula of 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione?
The molecular formula of 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione is C17H21N3O2.
What is the molecular weight of 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione?
The molecular weight of 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione is 299.16 g/mol.
Where can I buy 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione?
You can request a quote for 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-hexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.