J1.265.098A
TL;DR: J1.265.098A (CAS 213839-95-3) is a chemical compound with molecular formula C30H40N8O6 and molecular weight 608.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis[(4-methoxyphenyl)methylamino]pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
Also Known As: J1.265.098A, 2,2',2'',2'''-((4,8-Bis(((4-methoxyphenyl)methyl)amino)pyrimido(5,4-d)pyrimidine-2,6-diyl)dinitrilo)tetrakis(ethanol), 2-((6-(Bis(2-hydroxyethyl)amino)-4,8-bis((((4-methoxyphenyl)methyl)amino))-(1,3)diazino(5,4-d)pyrimidin-2-yl)(2-hydroxyethyl)amino)ethan-1-ol, Ethanol, 2,2',2'',2'''-((4,8-bis(((4-methoxyphenyl)methyl)amino)pyrimido(5,4-d)pyrimidine-2,6-diyl)dinitrilo)tetrakis-, 2,2 ,2 ,2 -[4,8-Bis(4-methoxybenzylamino)pyrimido[5,4-d]pyrimidine-2,6-diylbisnitrilo]tetraethanol
| Molecular Formula | C30H40N8O6 |
|---|---|
| Molecular Weight | 608.31 g/mol |
| LogP | 1.2432 |
| Topological Polar Surface Area | 181.48 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Exact Mass | 608.30707 |
| Heavy Atoms | 44 |
| Complexity | 1336.3933 |
Chemical Identifiers
| CAS Number | 213839-95-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=C(N=C3NCC4=CC=C(C=C4)OC)N(CCO)CCO)N(CCO)CCO |
Product Overview
J1.265.098A (CAS 213839-95-3), with molecular formula C30H40N8O6 and molecular weight 608.31 g/mol. IUPAC: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis[(4-methoxyphenyl)methylamino]pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of J1.265.098A
Property Insights of J1.265.098A
The XLogP value of 1.2432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.265.098A. The TPSA of 181.48 Ų indicates high polarity, suggesting J1.265.098A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.265.098A has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.265.098A?
The CAS number of J1.265.098A is 213839-95-3.
What is the molecular formula of J1.265.098A?
The molecular formula of J1.265.098A is C30H40N8O6.
What is the molecular weight of J1.265.098A?
The molecular weight of J1.265.098A is 608.31 g/mol.
Where can I buy J1.265.098A?
You can request a quote for J1.265.098A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.265.098A?
Yes, KEHONG BIO provides custom synthesis services for J1.265.098A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.