Miraxid
TL;DR: Miraxid (CAS 98445-47-7) is a chemical compound with molecular formula C43H62N6O11S2 and molecular weight 902.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: Miraxid, KST-1A0182, [(2,2-dimethylpropanoyl)oxy]methyl(2s,5r,6r)-6-{[(e)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate-[(2,2-dimethylpropanoyl)oxy]methyl(2s,5r,6r)-6-{[amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate(1:1), [(2,2-dimethylpropanoyl)oxy]methyl(2s,5r,6r)-6-{[(e)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate-[(2,2-dimethylpropanoyl)oxy]methyl(2s,5r,6r)-6-{[amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-a, 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyc
| Molecular Formula | C43H62N6O11S2 |
|---|---|
| Molecular Weight | 902.39 g/mol |
| LogP | 3.7351 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Exact Mass | 902.3918 |
| Heavy Atoms | 62 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 98445-47-7 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)OCOC(=O)C(C)(C)C)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C |
| InChIKey | OWPUISNKTHIHSM-HJRDKPTPSA-N |
Product Overview
Miraxid (CAS 98445-47-7), with molecular formula C43H62N6O11S2 and molecular weight 902.39 g/mol. IUPAC: 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of Miraxid
Property Insights of Miraxid
The XLogP value of 3.7351 indicates that Miraxid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 267.0 Ų indicates high polarity, suggesting Miraxid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Miraxid has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Miraxid?
The CAS number of Miraxid is 98445-47-7.
What is the molecular formula of Miraxid?
The molecular formula of Miraxid is C43H62N6O11S2.
What is the molecular weight of Miraxid?
The molecular weight of Miraxid is 902.39 g/mol.
Where can I buy Miraxid?
You can request a quote for Miraxid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Miraxid?
Yes, KEHONG BIO provides custom synthesis services for Miraxid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.