Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate
TL;DR: Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate (CAS 92254-85-8) is a chemical compound with molecular formula C14H16INO5 and molecular weight 405.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyloxazinane-6-carboxylate
Also Known As: methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate, methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyloxazinane-6-carboxylate
| Molecular Formula | C14H16INO5 |
|---|---|
| Molecular Weight | 405.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.00732 |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 92254-85-8 |
|---|---|
| SMILES | CC1C(C(C(ON1C(=O)C2=CC=CC=C2)C(=O)OC)I)O |
| InChIKey | MNWJGTIIFOUWRL-UHFFFAOYSA-N |
Product Overview
Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate (CAS 92254-85-8), with molecular formula C14H16INO5 and molecular weight 405.01 g/mol. IUPAC: methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyloxazinane-6-carboxylate.
Chemical Property Profile of Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate
Property Insights of Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate. Following Lipinski's Rule of Five, Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate has 1 hydrogen bond donor(s) and 5 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 Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate?
The CAS number of Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate is 92254-85-8.
What is the molecular formula of Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate?
The molecular formula of Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate is C14H16INO5.
What is the molecular weight of Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate?
The molecular weight of Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate is 405.01 g/mol.
Where can I buy Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate?
You can request a quote for Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-benzoyl-4-hydroxy-5-iodo-3-methyl-1,2-oxazinane-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.