3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl-
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl- (CAS 57269-48-4) 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.
(2-methyl-2,7-diazabicyclo[3.2.1]octan-7-yl)-(5-nitrothiophen-2-yl)methanone
Also Known As: 5-23-03-00478 (Beilstein Handbook Reference), 3-Methyl-8-(2-nitro-5-thenoyl)-3,8-diazabicyclo(3.2.1)octane, (2-methyl-2,7-diazabicyclo[3.2.1]oct-7-yl)(5-nitrothiophen-2-yl)methanone, 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl-, (2-Methyl-2,7-diazabicyclo[3.2.1]octan-7-yl)(5-nitrothiophen-2-yl)methanone
| 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 | 57269-48-4 |
|---|---|
| SMILES | CN1CCC2CC1N(C2)C(=O)C3=CC=C(S3)[N+](=O)[O-] |
| InChIKey | WNDHIVCXRIBPCM-UHFFFAOYSA-N |
Product Overview
3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl- (CAS 57269-48-4), with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol. IUPAC: (2-methyl-2,7-diazabicyclo[3.2.1]octan-7-yl)-(5-nitrothiophen-2-yl)methanone.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl-
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl-. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl-. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl- 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 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl-?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl- is 57269-48-4.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl-?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl- is C12H15N3O3S.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl-?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl- is 281.08 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl-?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.