2R-1137
TL;DR: 2R-1137 (CAS 861209-01-0) is a chemical compound with molecular formula C27H22N2O3 and molecular weight 422.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-ethylbenzamide
Also Known As: 2R-1137, 4-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-N-ethylbenzenecarboxamide, 4-{16,18-dioxo-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl}-N-ethylbenzamide, 4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-ethylbenzamide
| Molecular Formula | C27H22N2O3 |
|---|---|
| Molecular Weight | 422.16 g/mol |
| LogP | 3.8329 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.16306 |
| Heavy Atoms | 32 |
| Complexity | 1164.5687 |
Chemical Identifiers
| CAS Number | 861209-01-0 |
|---|---|
| SMILES | CCNC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46 |
Product Overview
2R-1137 (CAS 861209-01-0), with molecular formula C27H22N2O3 and molecular weight 422.16 g/mol. IUPAC: 4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-ethylbenzamide.
Chemical Property Profile of 2R-1137
Property Insights of 2R-1137
The XLogP value of 3.8329 indicates that 2R-1137 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2R-1137. Following Lipinski's Rule of Five, 2R-1137 has 1 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-1137?
The CAS number of 2R-1137 is 861209-01-0.
What is the molecular formula of 2R-1137?
The molecular formula of 2R-1137 is C27H22N2O3.
What is the molecular weight of 2R-1137?
The molecular weight of 2R-1137 is 422.16 g/mol.
Where can I buy 2R-1137?
You can request a quote for 2R-1137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2R-1137?
Yes, KEHONG BIO provides custom synthesis services for 2R-1137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.