![4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate structure](/static/products/3297/329778-27-0.webp)
4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate
TL;DR: 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate (CAS 329778-27-0) is a chemical compound with molecular formula C23H21NO5S and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl] 2,4,6-trimethylbenzenesulfonate
Also Known As: 4-[(1,3-benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate, [4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl] 2,4,6-trimethylbenzenesulfonate, 4-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]phenyl 2,4,6-trimethylbenzene-1-sulfonate, 4-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]phenyl2,4,6-trimethylbenzene-1-sulfonate
| Molecular Formula | C23H21NO5S |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 4.85886 |
| Topological Polar Surface Area | 74.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.11404 |
| Heavy Atoms | 30 |
| Complexity | 1207.9435 |
Chemical Identifiers
| CAS Number | 329778-27-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=C(C=C2)N=CC3=CC4=C(C=C3)OCO4)C |
Product Overview
4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate (CAS 329778-27-0), with molecular formula C23H21NO5S and molecular weight 423.11 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl] 2,4,6-trimethylbenzenesulfonate.
Chemical Property Profile of 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate
Property Insights of 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate
The XLogP value of 4.85886 indicates that 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate. Following Lipinski's Rule of Five, 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate has 0 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 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate?
The CAS number of 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate is 329778-27-0.
What is the molecular formula of 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate?
The molecular formula of 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate is C23H21NO5S.
What is the molecular weight of 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate?
The molecular weight of 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate is 423.11 g/mol.
Where can I buy 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate?
You can request a quote for 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 2,4,6-trimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.