RefChem:320450
TL;DR: RefChem:320450 (CAS 5091-31-6) is a chemical compound with molecular formula C16H20N4O7S and molecular weight 412.10526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(7R,8S)-11-amino-7-methoxy-12-methyl-5-methylsulfonyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Also Known As: Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-amino-8-(hydroxymethyl)-8a-methoxy-5-methyl-1-methylsulfonyl-, carbamate, [(8S,8aR)-6-Amino-1-(methanesulfonyl)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate, [6-Amino-1-(methanesulfonyl)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate, BRN 0904646
Technical Specifications
| Molecular Formula | C16H20N4O7S |
| Molecular Weight | 412.10526 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.10526 Da |
| Heavy Atoms | 28 |
| Complexity | 995.0 |
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4S(=O)(=O)C)N |
| InChIKey | MYXRRXIOADSTIW-IVPXTRFFSA-N |
Chemical Property Profile of RefChem:320450
Property Insights of RefChem:320450
The XLogP value of -0.7 indicates that RefChem:320450 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting RefChem:320450 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:320450 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:320450?
The CAS number of RefChem:320450 is 5091-31-6.
What is the molecular formula of RefChem:320450?
The molecular formula of RefChem:320450 is C16H20N4O7S.
What is the molecular weight of RefChem:320450?
The molecular weight of RefChem:320450 is 412.10526 g/mol.
Where can I buy RefChem:320450?
You can request a quote for RefChem:320450 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:320450?
Yes, CoreyChem provides custom synthesis services for RefChem:320450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.