Isovaleramide, N-(benzylamidino)-, sulfate (2:1)
TL;DR: Isovaleramide, N-(benzylamidino)-, sulfate (2:1) (CAS 20801-68-7) is a chemical compound with molecular formula C26H40N6O6S and molecular weight 564.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(benzyl-[N'-(3-methylbutanoyl)carbamimidoyl]azanium);sulfate
Also Known As: N-(Benzylamidino) isovaleramide sulfate (2:1), ISOVALERAMIDE, N-(BENZYLAMIDINO)-, SULFATE (2:1), benzyl-[N'-(3-methylbutanoyl)carbamimidoyl]azanium sulfate, RefChem:1087853
| Molecular Formula | C26H40N6O6S |
|---|---|
| Molecular Weight | 564.27 g/mol |
| LogP | -0.06 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 564.273 |
| Heavy Atoms | 39 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 20801-68-7 |
|---|---|
| SMILES | CC(C)CC(=O)N=C(N)[NH2+]CC1=CC=CC=C1.CC(C)CC(=O)N=C(N)[NH2+]CC1=CC=CC=C1.[O-]S(=O)(=O)[O-] |
| InChIKey | LXWSQFOOWZYXIK-UHFFFAOYSA-N |
Product Overview
Isovaleramide, N-(benzylamidino)-, sulfate (2:1) (CAS 20801-68-7), with molecular formula C26H40N6O6S and molecular weight 564.27 g/mol. IUPAC: bis(benzyl-[N'-(3-methylbutanoyl)carbamimidoyl]azanium);sulfate.
Chemical Property Profile of Isovaleramide, N-(benzylamidino)-, sulfate (2:1)
Property Insights of Isovaleramide, N-(benzylamidino)-, sulfate (2:1)
The XLogP value of -0.06 indicates that Isovaleramide, N-(benzylamidino)-, sulfate (2:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.0 Ų indicates high polarity, suggesting Isovaleramide, N-(benzylamidino)-, sulfate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isovaleramide, N-(benzylamidino)-, sulfate (2:1) has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isovaleramide, N-(benzylamidino)-, sulfate (2:1)?
The CAS number of Isovaleramide, N-(benzylamidino)-, sulfate (2:1) is 20801-68-7.
What is the molecular formula of Isovaleramide, N-(benzylamidino)-, sulfate (2:1)?
The molecular formula of Isovaleramide, N-(benzylamidino)-, sulfate (2:1) is C26H40N6O6S.
What is the molecular weight of Isovaleramide, N-(benzylamidino)-, sulfate (2:1)?
The molecular weight of Isovaleramide, N-(benzylamidino)-, sulfate (2:1) is 564.27 g/mol.
Where can I buy Isovaleramide, N-(benzylamidino)-, sulfate (2:1)?
You can request a quote for Isovaleramide, N-(benzylamidino)-, sulfate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovaleramide, N-(benzylamidino)-, sulfate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Isovaleramide, N-(benzylamidino)-, sulfate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.