RefChem:796349
TL;DR: RefChem:796349 (CAS 68134-31-6) is a chemical compound with molecular formula C7H11BNa2O9 and molecular weight 296.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3,4-dihydroxy-4-[2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]-2-oxidobutanoate
Also Known As: L-Glycero-L-ido-heptonic acid, cyclic 5,6-ester with boric acid, disodium salt, L-glycero-L-ido-Heptonic acid, cyclic 5,6-ester with boric acid (H3BO3), disodium salt, L-glycero-L-ido-Heptonic acid, cyclic 5,6-ester with boric acid (H3BO3), sodium salt (1:2), disodium 3,4-dihydroxy-4-[2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]-2-oxidobutanoate, EINECS 268-743-5
| Molecular Formula | C7H11BNa2O9 |
|---|---|
| Molecular Weight | 296.03 g/mol |
| LogP | -12.05 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.02914 |
| Heavy Atoms | 19 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 68134-31-6 |
|---|---|
| SMILES | B1(OC(C(O1)C(C(C(C(=O)[O-])[O-])O)O)CO)O.[Na+].[Na+] |
| InChIKey | QVACLNRDNWUPLA-UHFFFAOYSA-M |
Product Overview
RefChem:796349 (CAS 68134-31-6), with molecular formula C7H11BNa2O9 and molecular weight 296.03 g/mol. IUPAC: disodium;3,4-dihydroxy-4-[2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]-2-oxidobutanoate.
Chemical Property Profile of RefChem:796349
Property Insights of RefChem:796349
The XLogP value of -12.05 indicates that RefChem:796349 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting RefChem:796349 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:796349 has 4 hydrogen bond donor(s) and 9 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 RefChem:796349?
The CAS number of RefChem:796349 is 68134-31-6.
What is the molecular formula of RefChem:796349?
The molecular formula of RefChem:796349 is C7H11BNa2O9.
What is the molecular weight of RefChem:796349?
The molecular weight of RefChem:796349 is 296.03 g/mol.
Where can I buy RefChem:796349?
You can request a quote for RefChem:796349 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:796349?
Yes, KEHONG BIO provides custom synthesis services for RefChem:796349 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.