2R-1161
TL;DR: 2R-1161 (CAS 478029-55-9) is a chemical compound with molecular formula C21H17NO3 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-prop-2-enoxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Also Known As: 2R-1161, 17-(allyloxy)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione, 17-(prop-2-en-1-yloxy)-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione, 17-prop-2-enoxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
| Molecular Formula | C21H17NO3 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 2.9962 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.12085 |
| Heavy Atoms | 25 |
| Complexity | 803.3621 |
Chemical Identifiers
| CAS Number | 478029-55-9 |
|---|---|
| SMILES | C=CCON1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35 |
Product Overview
2R-1161 (CAS 478029-55-9), with molecular formula C21H17NO3 and molecular weight 331.12 g/mol. IUPAC: 17-prop-2-enoxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
Chemical Property Profile of 2R-1161
Property Insights of 2R-1161
The XLogP value of 2.9962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2R-1161. With a topological polar surface area (TPSA) of 46.61 Ų, 2R-1161 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2R-1161 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 2R-1161?
The CAS number of 2R-1161 is 478029-55-9.
What is the molecular formula of 2R-1161?
The molecular formula of 2R-1161 is C21H17NO3.
What is the molecular weight of 2R-1161?
The molecular weight of 2R-1161 is 331.12 g/mol.
Where can I buy 2R-1161?
You can request a quote for 2R-1161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2R-1161?
Yes, KEHONG BIO provides custom synthesis services for 2R-1161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.