8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane
TL;DR: 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane (CAS 57269-28-0) is a chemical compound with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-methyl-2,7-diazabicyclo[3.2.1]octan-2-yl)-(5-nitrothiophen-2-yl)methanone
Also Known As: KST-1A6288, 5-23-03-00478 (Beilstein Handbook Reference), (7-methyl-2,7-diazabicyclo[3.2.1]oct-2-yl)(5-nitrothiophen-2-yl)methanone, 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane, 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(2'-nitrothien-5'-yl)carbonyl-
| Molecular Formula | C12H15N3O3S |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.0834 |
| Heavy Atoms | 19 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 57269-28-0 |
|---|---|
| SMILES | CN1CC2CCN(C1C2)C(=O)C3=CC=C(S3)[N+](=O)[O-] |
| InChIKey | TYILFKWCXBXXQZ-UHFFFAOYSA-N |
Product Overview
8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane (CAS 57269-28-0), with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol. IUPAC: (7-methyl-2,7-diazabicyclo[3.2.1]octan-2-yl)-(5-nitrothiophen-2-yl)methanone.
Chemical Property Profile of 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane
Property Insights of 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane. Following Lipinski's Rule of Five, 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane has 0 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 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane?
The CAS number of 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane is 57269-28-0.
What is the molecular formula of 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane?
The molecular formula of 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane is C12H15N3O3S.
What is the molecular weight of 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane?
The molecular weight of 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane is 281.08 g/mol.
Where can I buy 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane?
You can request a quote for 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane?
Yes, KEHONG BIO provides custom synthesis services for 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.