4-苯基-4-胍基苯甲酸二甲磺酸盐
TL;DR: 4-苯基-4-胍基苯甲酸二甲磺酸盐 (CAS 80251-33-8) is a chemical compound with molecular formula C19H25N5O8S2 and molecular weight 515.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苯基-4-胍基苯甲酸二甲磺酸盐
[4-(3-amino-3-iminoprop-1-enyl)phenyl] 4-(diaminomethylideneamino)benzoate;methanesulfonic acid
Also Known As: 4- phenyl-4-guanidinobenzoatedimethanesulfonate
| Molecular Formula | C19H25N5O8S2 |
|---|---|
| Molecular Weight | 515.11 g/mol |
| LogP | 0.76787 |
| Topological Polar Surface Area | 266.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.11444 |
| Heavy Atoms | 34 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 80251-33-8 |
|---|---|
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C=CC(=N)N)OC(=O)C2=CC=C(C=C2)N=C(N)N |
| InChIKey | QTBJWZSUWMMLLD-UHFFFAOYSA-N |
Product Overview
4-苯基-4-胍基苯甲酸二甲磺酸盐 (CAS 80251-33-8), with molecular formula C19H25N5O8S2 and molecular weight 515.11 g/mol. IUPAC: [4-(3-amino-3-iminoprop-1-enyl)phenyl] 4-(diaminomethylideneamino)benzoate;methanesulfonic acid.
Chemical Property Profile of 4-苯基-4-胍基苯甲酸二甲磺酸盐
Property Insights of 4-苯基-4-胍基苯甲酸二甲磺酸盐
The XLogP value of 0.76787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-苯基-4-胍基苯甲酸二甲磺酸盐. The TPSA of 266.0 Ų indicates high polarity, suggesting 4-苯基-4-胍基苯甲酸二甲磺酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-苯基-4-胍基苯甲酸二甲磺酸盐 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-苯基-4-胍基苯甲酸二甲磺酸盐?
The CAS number of 4-苯基-4-胍基苯甲酸二甲磺酸盐 is 80251-33-8.
What is the molecular formula of 4-苯基-4-胍基苯甲酸二甲磺酸盐?
The molecular formula of 4-苯基-4-胍基苯甲酸二甲磺酸盐 is C19H25N5O8S2.
What is the molecular weight of 4-苯基-4-胍基苯甲酸二甲磺酸盐?
The molecular weight of 4-苯基-4-胍基苯甲酸二甲磺酸盐 is 515.11 g/mol.
Where can I buy 4-苯基-4-胍基苯甲酸二甲磺酸盐?
You can request a quote for 4-苯基-4-胍基苯甲酸二甲磺酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-苯基-4-胍基苯甲酸二甲磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for 4-苯基-4-胍基苯甲酸二甲磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.