4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide
TL;DR: 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide (CAS 24722-97-2) is a chemical compound with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonic acid;3-phenylmethoxybenzenecarboximidamide
Also Known As: 4-methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide, 4-methylbenzenesulfonic acid,3-phenylmethoxybenzenecarboximi, 4-Methylbenzene-1-sulfonic acid--3-(benzyloxy)benzene-1-carboximidamide (1/1)
| Molecular Formula | C21H22N2O4S |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 3.79139 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.13004 |
| Heavy Atoms | 28 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 24722-97-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=N)N |
| InChIKey | IDIVEJVEXWVWOR-UHFFFAOYSA-N |
Product Overview
4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide (CAS 24722-97-2), with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol. IUPAC: 4-methylbenzenesulfonic acid;3-phenylmethoxybenzenecarboximidamide.
Chemical Property Profile of 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide
Property Insights of 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide
The XLogP value of 3.79139 indicates that 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide. Following Lipinski's Rule of Five, 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide has 3 hydrogen bond donor(s) and 5 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-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide?
The CAS number of 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide is 24722-97-2.
What is the molecular formula of 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide?
The molecular formula of 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide is C21H22N2O4S.
What is the molecular weight of 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide?
The molecular weight of 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide is 398.13 g/mol.
Where can I buy 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide?
You can request a quote for 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.