![7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate structure](/static/products/6579/65795-53-1.webp)
7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate
TL;DR: 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate (CAS 65795-53-1) is a chemical compound with molecular formula C19H18N6O4 and molecular weight 394.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;7-[(3-nitrophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
Also Known As: 7H-Pyrrolo[3,4-diamine, 7-[(3-nitrophenyl)methyl]-, monoacetate, 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate, 7-[(3-Nitrophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine acetate, 7H-Pyrrolo[3,2-f]quinazoline-2,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate, acetic acid; 7-[(3-nitrophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
| Molecular Formula | C19H18N6O4 |
|---|---|
| Molecular Weight | 394.14 g/mol |
| LogP | 2.7963 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.13895 |
| Heavy Atoms | 29 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 65795-53-1 |
|---|---|
| SMILES | CC(=O)O.C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=CC3=C2C=CC4=C3C(=NC(=N4)N)N |
| InChIKey | UFFKDOLCUFDMQB-UHFFFAOYSA-N |
Product Overview
7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate (CAS 65795-53-1), with molecular formula C19H18N6O4 and molecular weight 394.14 g/mol. IUPAC: acetic acid;7-[(3-nitrophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.
Chemical Property Profile of 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate
Property Insights of 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate
The XLogP value of 2.7963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate. The TPSA of 166.0 Ų indicates high polarity, suggesting 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate has 3 hydrogen bond donor(s) and 8 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 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate?
The CAS number of 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate is 65795-53-1.
What is the molecular formula of 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate?
The molecular formula of 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate is C19H18N6O4.
What is the molecular weight of 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate?
The molecular weight of 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate is 394.14 g/mol.
Where can I buy 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate?
You can request a quote for 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate?
Yes, KEHONG BIO provides custom synthesis services for 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.