Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate
TL;DR: Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate (CAS 29584-94-9) is a chemical compound with molecular formula C9H17NO7S2 and molecular weight 315.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethane-1,2-disulfonic acid;4-methyl-5-propan-2-yl-1,3-oxazole
Also Known As: 5-Isopropyl-4-methyloxazole 1,2-ethanedisulfonate hydrate, Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate, ethane-1,2-disulfonic acid,4-methyl-5-propan-2-yl-1,3-oxazole, ethane-1,2-disulfonic acid; 4-methyl-5-propan-2-yl-1,3-oxazole, Ethane-1,2-disulfonic acid--4-methyl-5-(propan-2-yl)-1,3-oxazole (1/1)
| Molecular Formula | C9H17NO7S2 |
|---|---|
| Molecular Weight | 315.04 g/mol |
| LogP | 0.86842 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.04465 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 29584-94-9 |
|---|---|
| SMILES | CC1=C(OC=N1)C(C)C.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | FPIDWSQLHCVTFO-UHFFFAOYSA-N |
Product Overview
Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate (CAS 29584-94-9), with molecular formula C9H17NO7S2 and molecular weight 315.04 g/mol. IUPAC: ethane-1,2-disulfonic acid;4-methyl-5-propan-2-yl-1,3-oxazole.
Chemical Property Profile of Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate
Property Insights of Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate
The XLogP value of 0.86842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate. The TPSA of 152.0 Ų indicates high polarity, suggesting Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate has 2 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 Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate?
The CAS number of Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate is 29584-94-9.
What is the molecular formula of Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate?
The molecular formula of Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate is C9H17NO7S2.
What is the molecular weight of Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate?
The molecular weight of Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate is 315.04 g/mol.
Where can I buy Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate?
You can request a quote for Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Oxazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.