![dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate structure](/static/products/938/93896-82-3.png)
dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate
TL;DR: dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate (CAS 93896-82-3) is a chemical compound with molecular formula C29H48ClN5O8 and molecular weight 629.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate
Also Known As: dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate, tetrabutyl 2,2'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]dipentanedioate(non-preferred name), dibutyl2-[[4-[1,3-bis propylamino]-6-chloro-1,3,5-triazin-2-yl]amino]pentanedioate, Tetrabutyl 2,2'-[(6-chloro-1,3,5-triazine-2,4-diyl)bis(azanediyl)]dipentanedioate, Tetrabutyl 2,2'-[(6-chloro-1,3,5-triazine-2,4-diyl)diazanediyl]dipentanedioate
| Molecular Formula | C29H48ClN5O8 |
|---|---|
| Molecular Weight | 629.32 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 28 |
| Exact Mass | 629.31915 |
| Heavy Atoms | 43 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 93896-82-3 |
|---|---|
| SMILES | CCCCOC(=O)CCC(C(=O)OCCCC)NC1=NC(=NC(=N1)Cl)NC(CCC(=O)OCCCC)C(=O)OCCCC |
| InChIKey | CCGKNDMLROBGLE-UHFFFAOYSA-N |
Product Overview
dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate (CAS 93896-82-3), with molecular formula C29H48ClN5O8 and molecular weight 629.32 g/mol. IUPAC: dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate.
Chemical Property Profile of dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate
Property Insights of dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate
The XLogP value of 6.8 indicates that dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.0 Ų indicates high polarity, suggesting dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate 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 dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate?
The CAS number of dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate is 93896-82-3.
What is the molecular formula of dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate?
The molecular formula of dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate is C29H48ClN5O8.
What is the molecular weight of dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate?
The molecular weight of dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate is 629.32 g/mol.
Where can I buy dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate?
You can request a quote for dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for dibutyl 2-[[4-chloro-6-[(1,5-dibutoxy-1,5-dioxopentan-2-yl)amino]-1,3,5-triazin-2-yl]amino]pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.