C14H20N2O2
TL;DR: C14H20N2O2 (CAS 445462-47-5) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,6R,7R)-4-[3-(dimethylamino)propyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: BAS 01307206, (3aR,4R,7S,7aS)-2-(3-(dimethylamino)propyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C14H20N2O2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.15248 |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 445462-47-5 |
|---|---|
| SMILES | CN(C)CCCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)C=C3 |
| InChIKey | YBSFRRLURISYLP-IWDIQUIJSA-N |
Product Overview
C14H20N2O2 (CAS 445462-47-5), with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol. IUPAC: (1S,2S,6R,7R)-4-[3-(dimethylamino)propyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of C14H20N2O2
Property Insights of C14H20N2O2
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H20N2O2. With a topological polar surface area (TPSA) of 40.6 Ų, C14H20N2O2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C14H20N2O2 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 C14H20N2O2?
The CAS number of C14H20N2O2 is 445462-47-5.
What is the molecular formula of C14H20N2O2?
The molecular formula of C14H20N2O2 is C14H20N2O2.
What is the molecular weight of C14H20N2O2?
The molecular weight of C14H20N2O2 is 248.15 g/mol.
Where can I buy C14H20N2O2?
You can request a quote for C14H20N2O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H20N2O2?
Yes, KEHONG BIO provides custom synthesis services for C14H20N2O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.