D-1257
TL;DR: D-1257 (CAS 287109-91-5) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]oct-2-ene
Also Known As: D-1257, 8-Azabicyclo[3.2.1]oct-2-ene, 8-methyl-3-(4-nitrophenyl)-, 8-methyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]oct-2-ene, 8-methyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]oct-3-ene
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 2.8447 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 507.0302 |
Chemical Identifiers
| CAS Number | 287109-91-5 |
|---|---|
| SMILES | CN1C2CCC1C=C(C2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
D-1257 (CAS 287109-91-5), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 8-methyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]oct-2-ene.
Chemical Property Profile of D-1257
Property Insights of D-1257
The XLogP value of 2.8447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-1257. With a topological polar surface area (TPSA) of 46.38 Ų, D-1257 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D-1257 has 0 hydrogen bond donor(s) and 3 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 D-1257?
The CAS number of D-1257 is 287109-91-5.
What is the molecular formula of D-1257?
The molecular formula of D-1257 is C14H16N2O2.
What is the molecular weight of D-1257?
The molecular weight of D-1257 is 244.12 g/mol.
Where can I buy D-1257?
You can request a quote for D-1257 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-1257?
Yes, KEHONG BIO provides custom synthesis services for D-1257 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.