![4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid structure](/static/products/845/845288-09-7.png)
4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid
TL;DR: 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid (CAS 845288-09-7) is a chemical compound with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid
Also Known As: ChemDiv2_002330, 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid, A2937/0123631, 4-(5,6-Dihydro-4H-benzo[f]pyrrolo[1,2-a][1,4]diazepin-4-yl)benzoic acid, 4-(5,6-Dihydro-4H-pyrrolo[1,2-a]-[1,4]benzodiazepin-4-yl)benzoic acid
| Molecular Formula | C19H16N2O2 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 3.3681 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.1212 |
| Heavy Atoms | 23 |
| Complexity | 865.08594 |
Chemical Identifiers
| CAS Number | 845288-09-7 |
|---|---|
| SMILES | C1C2=CC=CC=C2N3C=CC=C3C(N1)C4=CC=C(C=C4)C(=O)O |
Product Overview
4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid (CAS 845288-09-7), with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol. IUPAC: 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid.
Chemical Property Profile of 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid
Property Insights of 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid
The XLogP value of 3.3681 indicates that 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.26 Ų, 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid 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 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid?
The CAS number of 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid is 845288-09-7.
What is the molecular formula of 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid?
The molecular formula of 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid is C19H16N2O2.
What is the molecular weight of 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid?
The molecular weight of 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid is 304.12 g/mol.
Where can I buy 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid?
You can request a quote for 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.