地棘蛙素
TL;DR: 地棘蛙素 (CAS 140111-52-0) is a chemical compound with molecular formula C11H13ClN2 and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地棘蛙素
(1S,2R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
Also Known As: Epibatidine, PDSP1_000463, PDSP1_001490, PDSP2_000461, PDSP2_001474
| Molecular Formula | C11H13ClN2 |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.07672 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 140111-52-0 |
|---|---|
| SMILES | C1CC2C[C@@H]([C@H]1N2)C3=CN=C(C=C3)Cl |
| InChIKey | NLPRAJRHRHZCQQ-XVBQNVSMSA-N |
Product Overview
地棘蛙素 (CAS 140111-52-0), with molecular formula C11H13ClN2 and molecular weight 208.08 g/mol. IUPAC: (1S,2R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane.
Chemical Property Profile of 地棘蛙素
Property Insights of 地棘蛙素
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 地棘蛙素. With a topological polar surface area (TPSA) of 24.9 Ų, 地棘蛙素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 地棘蛙素 has 1 hydrogen bond donor(s) and 2 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 地棘蛙素?
The CAS number of 地棘蛙素 is 140111-52-0.
What is the molecular formula of 地棘蛙素?
The molecular formula of 地棘蛙素 is C11H13ClN2.
What is the molecular weight of 地棘蛙素?
The molecular weight of 地棘蛙素 is 208.08 g/mol.
Where can I buy 地棘蛙素?
You can request a quote for 地棘蛙素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地棘蛙素?
Yes, KEHONG BIO provides custom synthesis services for 地棘蛙素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.