![2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one structure](/static/products/6868/6868-85-5.webp)
2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one
TL;DR: 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one (CAS 6868-85-5) is a chemical compound with molecular formula C18H22N4O4S and molecular weight 390.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(benzenesulfonyl)-1-(3-propan-2-yloxypropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one
Also Known As: 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one, 2-amino-3-(benzenesulfonyl)-1-(3-propan-2-yloxypropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one
| Molecular Formula | C18H22N4O4S |
|---|---|
| Molecular Weight | 390.14 g/mol |
| LogP | 1.9547 |
| Topological Polar Surface Area | 120.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.13617 |
| Heavy Atoms | 27 |
| Complexity | 1101.5872 |
Chemical Identifiers
| CAS Number | 6868-85-5 |
|---|---|
| SMILES | CC(C)OCCCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one (CAS 6868-85-5), with molecular formula C18H22N4O4S and molecular weight 390.14 g/mol. IUPAC: 2-amino-3-(benzenesulfonyl)-1-(3-propan-2-yloxypropyl)-6H-pyrrolo[2,3-d]pyridazin-7-one.
Chemical Property Profile of 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one
Property Insights of 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one
The XLogP value of 1.9547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one. The TPSA of 120.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one. Following Lipinski's Rule of Five, 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one has 2 hydrogen bond donor(s) and 6 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-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one?
The CAS number of 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one is 6868-85-5.
What is the molecular formula of 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one?
The molecular formula of 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one is C18H22N4O4S.
What is the molecular weight of 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one?
The molecular weight of 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one is 390.14 g/mol.
Where can I buy 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one?
You can request a quote for 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-(benzenesulfonyl)-1-{3-[(propan-2-yl)oxy]propyl}-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.