RefChem:1059001
TL;DR: RefChem:1059001 (CAS 5917-30-6) is a chemical compound with molecular formula C16H32N9O4P3 and molecular weight 507.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4,4,6,6-tetrakis(aziridin-1-yl)-2-[(2-ethoxy-2-oxoethyl)amino]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]amino]acetate
Also Known As: 5-20-01-00125 (Beilstein Handbook Reference), 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-6,6-bis((2-ethoxy-2-oxoethyl)amino)-2,2,4,4-tetrakis(1-aziridinyl)-, 2,2,4,4-Tetrakis(aziridin-1-yl)-6,6-bis((2-ethoxy-2-oxoethyl)amino)cyclotriphosphazene, Diethyl 2,2'-{[6,6-bis(aziridin-1-yl)-4,4-bis(aziridin-1-yl)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine-2,2-diyl]bis(azanediyl)}diacetate, ethyl 2-[[4,4,6,6-tetrakis(aziridin-1-yl)-2-[(2-ethoxy-2-oxoethyl)amino]-1,3,5-triaza-2
| Molecular Formula | C16H32N9O4P3 |
|---|---|
| Molecular Weight | 507.18 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 507.17902 |
| Heavy Atoms | 32 |
| Complexity | 846.0 |
Chemical Identifiers
| CAS Number | 5917-30-6 |
|---|---|
| SMILES | CCOC(=O)CNP1(=NP(=NP(=N1)(N2CC2)N3CC3)(N4CC4)N5CC5)NCC(=O)OCC |
| InChIKey | DWJSCTJHQQPMJK-UHFFFAOYSA-N |
Product Overview
RefChem:1059001 (CAS 5917-30-6), with molecular formula C16H32N9O4P3 and molecular weight 507.18 g/mol. IUPAC: ethyl 2-[[4,4,6,6-tetrakis(aziridin-1-yl)-2-[(2-ethoxy-2-oxoethyl)amino]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]amino]acetate.
Chemical Property Profile of RefChem:1059001
Property Insights of RefChem:1059001
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1059001. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1059001. Following Lipinski's Rule of Five, RefChem:1059001 has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1059001?
The CAS number of RefChem:1059001 is 5917-30-6.
What is the molecular formula of RefChem:1059001?
The molecular formula of RefChem:1059001 is C16H32N9O4P3.
What is the molecular weight of RefChem:1059001?
The molecular weight of RefChem:1059001 is 507.18 g/mol.
Where can I buy RefChem:1059001?
You can request a quote for RefChem:1059001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1059001?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1059001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.