![[2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate structure](/static/products/957/957029-95-7.png)
[2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate
TL;DR: [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate (CAS 957029-95-7) is a chemical compound with molecular formula C25H24N2O6S2 and molecular weight 512.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate
Also Known As: [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate|[2-[1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate|6-(benzenesulfonyl)-7-[2-(benzenesulfonyloxy)phenyl]-1-methyl-4,6-diazabicyclo[3.3.0]octan-3-one
| Molecular Formula | C25H24N2O6S2 |
|---|---|
| Molecular Weight | 512.11 g/mol |
| LogP | 3.4423 |
| Topological Polar Surface Area | 109.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.1076 |
| Heavy Atoms | 35 |
| Complexity | 1476.6062 |
Chemical Identifiers
| CAS Number | 957029-95-7 |
|---|---|
| SMILES | CC12CC(N(C1NC(=O)C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4OS(=O)(=O)C5=CC=CC=C5 |
Product Overview
[2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate (CAS 957029-95-7), with molecular formula C25H24N2O6S2 and molecular weight 512.11 g/mol. IUPAC: [2-[1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate.
Chemical Property Profile of [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate
Property Insights of [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate
The XLogP value of 3.4423 indicates that [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.85 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate. Following Lipinski's Rule of Five, [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate?
The CAS number of [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate is 957029-95-7.
What is the molecular formula of [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate?
The molecular formula of [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate is C25H24N2O6S2.
What is the molecular weight of [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate?
The molecular weight of [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate is 512.11 g/mol.
Where can I buy [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate?
You can request a quote for [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(3aR)-1-(benzenesulfonyl)-3a-methyl-5-oxo-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-2-yl]phenyl] benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.