2R-1136
TL;DR: 2R-1136 (CAS 861209-00-9) is a chemical compound with molecular formula C28H22N2O3 and molecular weight 434.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclopropyl-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)benzamide
Also Known As: 2R-1136, N-cyclopropyl-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]benzenecarboxamide, N-cyclopropyl-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}benzamide, N-cyclopropyl-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)benzamide
| Molecular Formula | C28H22N2O3 |
|---|---|
| Molecular Weight | 434.16 g/mol |
| LogP | 3.9754 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.16306 |
| Heavy Atoms | 33 |
| Complexity | 1225.7583 |
Chemical Identifiers
| CAS Number | 861209-00-9 |
|---|---|
| SMILES | C1CC1NC(=O)C2=CC=C(C=C2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57 |
Product Overview
2R-1136 (CAS 861209-00-9), with molecular formula C28H22N2O3 and molecular weight 434.16 g/mol. IUPAC: N-cyclopropyl-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)benzamide.
Chemical Property Profile of 2R-1136
Property Insights of 2R-1136
The XLogP value of 3.9754 indicates that 2R-1136 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-1136. Following Lipinski's Rule of Five, 2R-1136 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-1136?
The CAS number of 2R-1136 is 861209-00-9.
What is the molecular formula of 2R-1136?
The molecular formula of 2R-1136 is C28H22N2O3.
What is the molecular weight of 2R-1136?
The molecular weight of 2R-1136 is 434.16 g/mol.
Where can I buy 2R-1136?
You can request a quote for 2R-1136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2R-1136?
Yes, KEHONG BIO provides custom synthesis services for 2R-1136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.