2R-1121
TL;DR: 2R-1121 (CAS 478029-40-2) is a chemical compound with molecular formula C26H19NO4 and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl) 4-methylbenzoate
Also Known As: 2R-1121, 16,18-dioxo-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl 4-methylbenzoate, (16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl) 4-methylbenzoate, 17-[(4-methylbenzoyl)oxy]-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, 16,18-dioxo-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl4-methylbenzoate
| Molecular Formula | C26H19NO4 |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 3.95902 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.1314 |
| Heavy Atoms | 31 |
| Complexity | 1146.9084 |
Chemical Identifiers
| CAS Number | 478029-40-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)ON2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46 |
Product Overview
2R-1121 (CAS 478029-40-2), with molecular formula C26H19NO4 and molecular weight 409.13 g/mol. IUPAC: (16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl) 4-methylbenzoate.
Chemical Property Profile of 2R-1121
Property Insights of 2R-1121
The XLogP value of 3.95902 indicates that 2R-1121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2R-1121. Following Lipinski's Rule of Five, 2R-1121 has 0 hydrogen bond donor(s) and 4 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-1121?
The CAS number of 2R-1121 is 478029-40-2.
What is the molecular formula of 2R-1121?
The molecular formula of 2R-1121 is C26H19NO4.
What is the molecular weight of 2R-1121?
The molecular weight of 2R-1121 is 409.13 g/mol.
Where can I buy 2R-1121?
You can request a quote for 2R-1121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2R-1121?
Yes, KEHONG BIO provides custom synthesis services for 2R-1121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.