ChemDiv2_000994
TL;DR: ChemDiv2_000994 (CAS 69603-57-2) is a chemical compound with molecular formula C22H19NO4 and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
Also Known As: ChemDiv2_000994, BAS 00648958, ethyl (16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate, ethyl (16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate (non-preferred name), Ethyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
| Molecular Formula | C22H19NO4 |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.1314 |
| Heavy Atoms | 27 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 69603-57-2 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35 |
| InChIKey | QJINPPVYAPVMSJ-UHFFFAOYSA-N |
Product Overview
ChemDiv2_000994 (CAS 69603-57-2), with molecular formula C22H19NO4 and molecular weight 361.13 g/mol. IUPAC: ethyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate.
Chemical Property Profile of ChemDiv2_000994
Property Insights of ChemDiv2_000994
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_000994. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_000994. Following Lipinski's Rule of Five, ChemDiv2_000994 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 ChemDiv2_000994?
The CAS number of ChemDiv2_000994 is 69603-57-2.
What is the molecular formula of ChemDiv2_000994?
The molecular formula of ChemDiv2_000994 is C22H19NO4.
What is the molecular weight of ChemDiv2_000994?
The molecular weight of ChemDiv2_000994 is 361.13 g/mol.
Where can I buy ChemDiv2_000994?
You can request a quote for ChemDiv2_000994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_000994?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_000994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.