Methyl carbamimidate 4-methylbenzenesulfonate(1:1)
TL;DR: Methyl carbamimidate 4-methylbenzenesulfonate(1:1) (CAS 96231-36-6) is a chemical compound with molecular formula C9H14N2O4S and molecular weight 246.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonic acid;methyl carbamimidate
Also Known As: O-Methyliso Urea Tosylate Salt, o-methylisourea tosylate, starbld0039731, O-Methylisourea p-Toluenesulfonate, methyl carbamimidate 4-methylbenzenesulfonate(1:1)
| Molecular Formula | C9H14N2O4S |
|---|---|
| Molecular Weight | 246.07 g/mol |
| LogP | 0.76799 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.06743 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 96231-36-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.COC(=N)N |
| InChIKey | CXDJHKQXACSXMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl carbamimidate 4-methylbenzenesulfonate(1:1) (CAS 96231-36-6), with molecular formula C9H14N2O4S and molecular weight 246.07 g/mol. IUPAC: 4-methylbenzenesulfonic acid;methyl carbamimidate.
Chemical Property Profile of Methyl carbamimidate 4-methylbenzenesulfonate(1:1)
Property Insights of Methyl carbamimidate 4-methylbenzenesulfonate(1:1)
The XLogP value of 0.76799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl carbamimidate 4-methylbenzenesulfonate(1:1). The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl carbamimidate 4-methylbenzenesulfonate(1:1). Following Lipinski's Rule of Five, Methyl carbamimidate 4-methylbenzenesulfonate(1:1) 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 Methyl carbamimidate 4-methylbenzenesulfonate(1:1)?
The CAS number of Methyl carbamimidate 4-methylbenzenesulfonate(1:1) is 96231-36-6.
What is the molecular formula of Methyl carbamimidate 4-methylbenzenesulfonate(1:1)?
The molecular formula of Methyl carbamimidate 4-methylbenzenesulfonate(1:1) is C9H14N2O4S.
What is the molecular weight of Methyl carbamimidate 4-methylbenzenesulfonate(1:1)?
The molecular weight of Methyl carbamimidate 4-methylbenzenesulfonate(1:1) is 246.07 g/mol.
Where can I buy Methyl carbamimidate 4-methylbenzenesulfonate(1:1)?
You can request a quote for Methyl carbamimidate 4-methylbenzenesulfonate(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl carbamimidate 4-methylbenzenesulfonate(1:1)?
Yes, KEHONG BIO provides custom synthesis services for Methyl carbamimidate 4-methylbenzenesulfonate(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.