RefChem:1058378
TL;DR: RefChem:1058378 (CAS 130187-62-1) is a chemical compound with molecular formula C28H40N6O6 and molecular weight 556.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-[2-(dibutylamino)ethylamino]-1,3-dimethylpurine-2,6-dione;(E)-but-2-enedioic acid
Also Known As: 7-Benzyl-8-(2-N,N-di-n-butylaminoethyl)aminotheophylline hydromaleate, 1H-Purine-2,6-dione, 3,7-dihydro-8-((2-(dibutylamino)ethyl)amino)-1,3-dimethyl-7-(phenylmethyl)-, (Z)-2-butenedioate (1:1), 7-benzyl-8-[2-(dibutylamino)ethylamino]-1,3-dimethylpurine-2,6-dione; (E)-but-2-enedioic acid, RefChem:1058378
| Molecular Formula | C28H40N6O6 |
|---|---|
| Molecular Weight | 556.30 g/mol |
| LogP | 2.5079 |
| Topological Polar Surface Area | 151.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 556.3009 |
| Heavy Atoms | 40 |
| Complexity | 1382.6414 |
Chemical Identifiers
| CAS Number | 130187-62-1 |
|---|---|
| SMILES | CCCCN(CCCC)CCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058378 (CAS 130187-62-1), with molecular formula C28H40N6O6 and molecular weight 556.30 g/mol. IUPAC: 7-benzyl-8-[2-(dibutylamino)ethylamino]-1,3-dimethylpurine-2,6-dione;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1058378
Property Insights of RefChem:1058378
The XLogP value of 2.5079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058378. The TPSA of 151.69 Ų indicates high polarity, suggesting RefChem:1058378 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1058378 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1058378?
The CAS number of RefChem:1058378 is 130187-62-1.
What is the molecular formula of RefChem:1058378?
The molecular formula of RefChem:1058378 is C28H40N6O6.
What is the molecular weight of RefChem:1058378?
The molecular weight of RefChem:1058378 is 556.30 g/mol.
Where can I buy RefChem:1058378?
You can request a quote for RefChem:1058378 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058378?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058378 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.