![2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one structure](/static/products/154/154468-45-8.webp)
2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one
TL;DR: 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one (CAS 154468-45-8) is a chemical compound with molecular formula C8H6Br2N2O and molecular weight 303.8847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dibromo-6,7-dihydro-1H-pyrrolo[2,3-c]azepin-8-one
Also Known As: 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one, 2,3-Dibromo-6,7-dihydro-1H-pyrrolo[2,3-c]azepin-8-one, 2,3-dibromo-1H,6H,7H,8H-pyrrolo[2,3-c]azepin-8-one, 8,9-dibromo-3,10-diazabicyclo[5.3.0]deca-5,8,11-trien-2-one
Technical Specifications
| Molecular Formula | C8H6Br2N2O |
| Molecular Weight | 303.8847 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 44.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 303.8847 Da |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
| SMILES | C1C=CC2=C(C(=O)N1)NC(=C2Br)Br |
| InChIKey | OHTUDDNYUHUIAU-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one
Property Insights of 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one. With a topological polar surface area (TPSA) of 44.9 Ų, 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one?
The CAS number of 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one is 154468-45-8.
What is the molecular formula of 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one?
The molecular formula of 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one is C8H6Br2N2O.
What is the molecular weight of 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one?
The molecular weight of 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one is 303.8847 g/mol.
Where can I buy 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one?
You can request a quote for 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one?
Yes, CoreyChem provides custom synthesis services for 2,3-Dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.