Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine
TL;DR: Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine (CAS 54649-97-7) is a chemical compound with molecular formula C18H22O10 and molecular weight 398.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;furan-2,5-dione;3-(3-hydroxypropoxy)propan-1-ol
Also Known As: melamine borate, EINECS 258-651-3, EINECS 259-277-3, Boric acid, compd. with 1,3,5-triazine-2,4,6-triamine, Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine
| Molecular Formula | C18H22O10 |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 0.4768 |
| Topological Polar Surface Area | 167.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.1213 |
| Heavy Atoms | 28 |
| Complexity | 629.4488 |
Chemical Identifiers
| CAS Number | 54649-97-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=O)OC1=O.C(CO)COCCCO |
Product Overview
Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine (CAS 54649-97-7), with molecular formula C18H22O10 and molecular weight 398.12 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;furan-2,5-dione;3-(3-hydroxypropoxy)propan-1-ol.
Chemical Property Profile of Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine
Property Insights of Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine
The XLogP value of 0.4768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine. The TPSA of 167.66 Ų indicates high polarity, suggesting Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine has 4 hydrogen bond donor(s) and 8 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 Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine?
The CAS number of Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine is 54649-97-7.
What is the molecular formula of Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine?
The molecular formula of Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine is C18H22O10.
What is the molecular weight of Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine?
The molecular weight of Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine is 398.12 g/mol.
Where can I buy Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine?
You can request a quote for Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for Orthoboric acid, compound with 1,3,5-triazine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.