3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl-
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl- (CAS 57269-49-5) is a chemical compound with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2-methyl-2,7-diazabicyclo[3.2.1]octan-7-yl)-3-(5-nitrothiophen-2-yl)prop-2-en-1-one
Also Known As: 5-23-03-00478 (Beilstein Handbook Reference), 3-Methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl-3,8-diazabicyclo(3.2.1)octane, 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl-, 3,8-Diazabicyclo[3.2.1]octane, 3-methyl-8-[3-(5-nitro-2-thienyl)-1-oxo-2-propenyl]-, (E)-1-(4-methyl-4,6-diazabicyclo[3.2.1]octan-6-yl)-3-(5-nitrothiophen-2-yl)prop-2-en-1-one
| Molecular Formula | C14H17N3O3S |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 2.1796 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.09906 |
| Heavy Atoms | 21 |
| Complexity | 598.0396 |
Chemical Identifiers
| CAS Number | 57269-49-5 |
|---|---|
| SMILES | CN1CCC2CC1N(C2)C(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl- (CAS 57269-49-5), with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol. IUPAC: (E)-1-(2-methyl-2,7-diazabicyclo[3.2.1]octan-7-yl)-3-(5-nitrothiophen-2-yl)prop-2-en-1-one.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl-
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl-
The XLogP value of 2.1796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl-. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl-. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)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'-nitrothien-5'-yl)vinyl)carbonyl-?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl- is 57269-49-5.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl-?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl- is C14H17N3O3S.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl-?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl- is 307.10 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl-?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)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'-nitrothien-5'-yl)vinyl)carbonyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-((2'-nitrothien-5'-yl)vinyl)carbonyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.