NCI60_007944
TL;DR: NCI60_007944 (CAS 102052-98-2) is a chemical compound with molecular formula C16H21NO8 and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl 3-(3-methoxy-3-oxoprop-1-enyl)-7-azabicyclo[2.2.1]heptane-1,2,4-tricarboxylate
Also Known As: NCI60_007944, NCI60_007945, trimethyl 3-(3-methoxy-3-oxoprop-1-en-1-yl)-7-azabicyclo[2.2.1]heptane-1,2,4-tricarboxylate, 1,2,4-Trimethyl 3-(3-methoxy-3-oxo-1-propen-1-yl)-7-azabicyclo[2.2.1]heptane-1,2,4-tricarboxylate, trimethyl 2-(3-methoxy-3-oxoprop-1-enyl)-7-azabicyclo[2.2.1]heptane-1,3,4-tricarboxylate
| Molecular Formula | C16H21NO8 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 355.1267 |
| Heavy Atoms | 25 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 102052-98-2 |
|---|---|
| SMILES | COC(=O)C=CC1C(C2(CCC1(N2)C(=O)OC)C(=O)OC)C(=O)OC |
| InChIKey | JZWLDPATPYTKFV-UHFFFAOYSA-N |
Product Overview
NCI60_007944 (CAS 102052-98-2), with molecular formula C16H21NO8 and molecular weight 355.13 g/mol. IUPAC: trimethyl 3-(3-methoxy-3-oxoprop-1-enyl)-7-azabicyclo[2.2.1]heptane-1,2,4-tricarboxylate.
Chemical Property Profile of NCI60_007944
Property Insights of NCI60_007944
The XLogP value of -0.1 indicates that NCI60_007944 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_007944. Following Lipinski's Rule of Five, NCI60_007944 has 1 hydrogen bond donor(s) and 9 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 NCI60_007944?
The CAS number of NCI60_007944 is 102052-98-2.
What is the molecular formula of NCI60_007944?
The molecular formula of NCI60_007944 is C16H21NO8.
What is the molecular weight of NCI60_007944?
The molecular weight of NCI60_007944 is 355.13 g/mol.
Where can I buy NCI60_007944?
You can request a quote for NCI60_007944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_007944?
Yes, KEHONG BIO provides custom synthesis services for NCI60_007944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.