A3276/0139356
TL;DR: A3276/0139356 (CAS 955975-22-1) is a chemical compound with molecular formula C16H21N3O4 and molecular weight 319.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(5-nitrofuran-2-yl)-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: A3276/0139356, (1R,2r,3S,5s,7r)-5-methyl-2-(5-nitrofuran-2-yl)-7-propyl-1,3-diazaadamantan-6-one, 5-methyl-2-(5-nitro-2-furyl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, 5-methyl-2-(5-nitrofuran-2-yl)-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, 7-Methyl-2-(5-nitro-furan-2-yl)-5-propyl-1,3-diaza-tricyclo[3.3.1.1*3,7*]decan-6-one
| Molecular Formula | C16H21N3O4 |
|---|---|
| Molecular Weight | 319.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.1532 |
| Heavy Atoms | 23 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 955975-22-1 |
|---|---|
| SMILES | CCCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(O4)[N+](=O)[O-])C |
| InChIKey | JOUSNILLSQTPJG-UHFFFAOYSA-N |
Product Overview
A3276/0139356 (CAS 955975-22-1), with molecular formula C16H21N3O4 and molecular weight 319.15 g/mol. IUPAC: 5-methyl-2-(5-nitrofuran-2-yl)-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of A3276/0139356
Property Insights of A3276/0139356
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3276/0139356. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for A3276/0139356. Following Lipinski's Rule of Five, A3276/0139356 has 0 hydrogen bond donor(s) and 6 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 A3276/0139356?
The CAS number of A3276/0139356 is 955975-22-1.
What is the molecular formula of A3276/0139356?
The molecular formula of A3276/0139356 is C16H21N3O4.
What is the molecular weight of A3276/0139356?
The molecular weight of A3276/0139356 is 319.15 g/mol.
Where can I buy A3276/0139356?
You can request a quote for A3276/0139356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3276/0139356?
Yes, KEHONG BIO provides custom synthesis services for A3276/0139356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.