3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester
TL;DR: 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester (CAS 137394-54-8) is a chemical compound with molecular formula C15H18N4O6 and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(12-methyl-5,11,14,15-tetraoxo-4,6,10,12-tetrazatetracyclo[8.3.1.12,6.03,13]pentadecan-4-yl)acetate
Also Known As: 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester, 3,6-Propanocyclobuta[1,2-d:4,3-d']dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester, Methyl (12-methyl-5,11,14,15-tetraoxo-4,6,10,12-tetraazatetracyclo[8.3.1.1~2,6~.0~3,13~]pentadecan-4-yl)acetate
| Molecular Formula | C15H18N4O6 |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.12262 |
| Heavy Atoms | 25 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 137394-54-8 |
|---|---|
| SMILES | CN1C2C3C4C2N(C(=O)N(C4=O)CCCN(C3=O)C1=O)CC(=O)OC |
| InChIKey | SLTQMKOTFQEILH-UHFFFAOYSA-N |
Product Overview
3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester (CAS 137394-54-8), with molecular formula C15H18N4O6 and molecular weight 350.12 g/mol. IUPAC: methyl 2-(12-methyl-5,11,14,15-tetraoxo-4,6,10,12-tetrazatetracyclo[8.3.1.12,6.03,13]pentadecan-4-yl)acetate.
Chemical Property Profile of 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester
Property Insights of 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester
The XLogP value of -1.8 indicates that 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester. Following Lipinski's Rule of Five, 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester has 0 hydrogen bond donor(s) and 6 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 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester?
The CAS number of 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester is 137394-54-8.
What is the molecular formula of 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester?
The molecular formula of 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester is C15H18N4O6.
What is the molecular weight of 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester?
The molecular weight of 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester is 350.12 g/mol.
Where can I buy 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester?
You can request a quote for 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.