A1906/0080068
TL;DR: A1906/0080068 (CAS 314039-16-2) is a chemical compound with molecular formula C20H17NO7S and molecular weight 415.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]sulfonylbenzoic acid
Also Known As: A1906/0080068, 4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]sulfonylbenzoic acid, 4-{[1,3-DIOXO-2-(TETRAHYDRO-2-FURANYLMETHYL)-2,3-DIHYDRO-1H-ISOINDOL-5-YL]SULFONYL}BENZOIC ACID, 4-{[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]sulfonyl}benzoic acid, 4-((1,3-dioxo-2-((tetrahydrofuran-2-yl)methyl)isoindolin-5-yl)sulfonyl)benzoic acid
| Molecular Formula | C20H17NO7S |
|---|---|
| Molecular Weight | 415.07 g/mol |
| LogP | 1.9926 |
| Topological Polar Surface Area | 118.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.07257 |
| Heavy Atoms | 29 |
| Complexity | 1116.0188 |
Chemical Identifiers
| CAS Number | 314039-16-2 |
|---|---|
| SMILES | C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O |
Product Overview
A1906/0080068 (CAS 314039-16-2), with molecular formula C20H17NO7S and molecular weight 415.07 g/mol. IUPAC: 4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]sulfonylbenzoic acid.
Chemical Property Profile of A1906/0080068
Property Insights of A1906/0080068
The XLogP value of 1.9926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1906/0080068. The TPSA of 118.05 Ų falls within the moderate polarity range, balancing permeability and solubility for A1906/0080068. Following Lipinski's Rule of Five, A1906/0080068 has 1 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 A1906/0080068?
The CAS number of A1906/0080068 is 314039-16-2.
What is the molecular formula of A1906/0080068?
The molecular formula of A1906/0080068 is C20H17NO7S.
What is the molecular weight of A1906/0080068?
The molecular weight of A1906/0080068 is 415.07 g/mol.
Where can I buy A1906/0080068?
You can request a quote for A1906/0080068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1906/0080068?
Yes, KEHONG BIO provides custom synthesis services for A1906/0080068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.