Guanidine 4-methylbenzenesulfonate
TL;DR: Guanidine 4-methylbenzenesulfonate (CAS 63144-77-4) is a chemical compound with molecular formula C8H13N3O3S and molecular weight 231.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
guanidine;4-methylbenzenesulfonic acid
Also Known As: guanidine 4-methylbenzenesulfonate, GUANIDINIUM P-TOLUENESULFONATE, Guanidinium p-?toluenesulfonate, guanidine; para-toluene sulfonate, guanidine;4-methylbenzenesulfonic acid
| Molecular Formula | C8H13N3O3S |
|---|---|
| Molecular Weight | 231.07 g/mol |
| LogP | 0.08029 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.06776 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 63144-77-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C(=N)(N)N |
| InChIKey | VPWWSPRXXOPZSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guanidine 4-methylbenzenesulfonate (CAS 63144-77-4), with molecular formula C8H13N3O3S and molecular weight 231.07 g/mol. IUPAC: guanidine;4-methylbenzenesulfonic acid.
Chemical Property Profile of Guanidine 4-methylbenzenesulfonate
Property Insights of Guanidine 4-methylbenzenesulfonate
The XLogP value of 0.08029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine 4-methylbenzenesulfonate. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, Guanidine 4-methylbenzenesulfonate has 4 hydrogen bond donor(s) and 4 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 Guanidine 4-methylbenzenesulfonate?
The CAS number of Guanidine 4-methylbenzenesulfonate is 63144-77-4.
What is the molecular formula of Guanidine 4-methylbenzenesulfonate?
The molecular formula of Guanidine 4-methylbenzenesulfonate is C8H13N3O3S.
What is the molecular weight of Guanidine 4-methylbenzenesulfonate?
The molecular weight of Guanidine 4-methylbenzenesulfonate is 231.07 g/mol.
Where can I buy Guanidine 4-methylbenzenesulfonate?
You can request a quote for Guanidine 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Guanidine 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.