Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate
TL;DR: Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate (CAS 1396968-11-8) is a chemical compound with molecular formula C13H17NO7S and molecular weight 331.07257 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: 6P-069, methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate, methyl 2-{[(benzyloxy)carbonyl]amino}-3-[(methylsulfonyl)oxy]propanoate, Methyl 3-methylsulfonyloxy-2-phenylmethoxycarbonylamino-propanoate, methyl 2-{[(benzyloxy)carbonyl]amino}-3-(methanesulfonyloxy)propanoate
Technical Specifications
| Molecular Formula | C13H17NO7S |
| Molecular Weight | 331.07257 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 331.07257 Da |
| Heavy Atoms | 22 |
| Complexity | 465.0 |
| SMILES | COC(=O)C(COS(=O)(=O)C)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | IFWBKPCDQOZRDI-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate
Property Insights of Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate. Following Lipinski's Rule of Five, Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate?
The CAS number of Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate is 1396968-11-8.
What is the molecular formula of Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate?
The molecular formula of Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate is C13H17NO7S.
What is the molecular weight of Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate?
The molecular weight of Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate is 331.07257 g/mol.
Where can I buy Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate?
You can request a quote for Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.