RefChem:245465
TL;DR: RefChem:245465 (CAS 75079-79-7) is a chemical compound with molecular formula C18H25N3O9 and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[4-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-6-methoxy-1H-1,3,5-triazin-2-ylidene]propanedioate
Also Known As: 2,4(3H,5H)-s-Triazine-delta(sup 2,alpha),delta(sup 4,alpha')-dimalonic acid, 6-methoxy-, tetraethyl ester, Propanedioic acid, 2,2'-((6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)bis-, tetraethyl ester, 2,4-bis(diethoxycarbonylmethylene)-6-methoxy-1,2,3,4-tetrahydro-s-triazine, 2,2 -(6-Methoxy-1,3,5-triazine-2,4(3H,5H)-diylidene)bis(malonic acid diethyl) ester, Tetraethyl 2,2'-(6-methoxy-1,3,5-triazine-2,4(1H,3H)-diylidene)dipropanedioate
| Molecular Formula | C18H25N3O9 |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | -0.1428 |
| Topological Polar Surface Area | 150.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.1591 |
| Heavy Atoms | 30 |
| Complexity | 743.77167 |
Chemical Identifiers
| CAS Number | 75079-79-7 |
|---|---|
| SMILES | CCOC(=O)C(=C1NC(=C(C(=O)OCC)C(=O)OCC)N=C(N1)OC)C(=O)OCC |
Product Overview
RefChem:245465 (CAS 75079-79-7), with molecular formula C18H25N3O9 and molecular weight 427.16 g/mol. IUPAC: diethyl 2-[4-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-6-methoxy-1H-1,3,5-triazin-2-ylidene]propanedioate.
Chemical Property Profile of RefChem:245465
Property Insights of RefChem:245465
The XLogP value of -0.1428 indicates that RefChem:245465 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.85 Ų indicates high polarity, suggesting RefChem:245465 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:245465 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:245465?
The CAS number of RefChem:245465 is 75079-79-7.
What is the molecular formula of RefChem:245465?
The molecular formula of RefChem:245465 is C18H25N3O9.
What is the molecular weight of RefChem:245465?
The molecular weight of RefChem:245465 is 427.16 g/mol.
Where can I buy RefChem:245465?
You can request a quote for RefChem:245465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245465?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.