RefChem:1059966
TL;DR: RefChem:1059966 (CAS 87813-93-2) is a chemical compound with molecular formula C27H32N6O4S and molecular weight 536.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(1-benzothiophen-2-ylmethyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine;(E)-but-2-enedioic acid
Also Known As: 1-(2,4-Bis-allylaminopyrimidin-6-yl)-4-(benzothien-2-ylmethyl)piperazine fumarate, 2,4-Pyrimidinediamine, 6-(4-(benzo(b)thien-2-ylmethyl)-1-piperazinyl)-N,N'-di-2-propenyl-, (E)-2-butenedioate (1:1), 6-[4-(1-benzothiophen-2-ylmethyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine; (E)-but-2-enedioic acid, RefChem:1059966
| Molecular Formula | C27H32N6O4S |
|---|---|
| Molecular Weight | 536.22 g/mol |
| LogP | 3.9211 |
| Topological Polar Surface Area | 130.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 536.2206 |
| Heavy Atoms | 38 |
| Complexity | 1204.3134 |
Chemical Identifiers
| CAS Number | 87813-93-2 |
|---|---|
| SMILES | C=CCNC1=CC(=NC(=N1)NCC=C)N2CCN(CC2)CC3=CC4=CC=CC=C4S3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1059966 (CAS 87813-93-2), with molecular formula C27H32N6O4S and molecular weight 536.22 g/mol. IUPAC: 6-[4-(1-benzothiophen-2-ylmethyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1059966
Property Insights of RefChem:1059966
The XLogP value of 3.9211 indicates that RefChem:1059966 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.92 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1059966. Following Lipinski's Rule of Five, RefChem:1059966 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1059966?
The CAS number of RefChem:1059966 is 87813-93-2.
What is the molecular formula of RefChem:1059966?
The molecular formula of RefChem:1059966 is C27H32N6O4S.
What is the molecular weight of RefChem:1059966?
The molecular weight of RefChem:1059966 is 536.22 g/mol.
Where can I buy RefChem:1059966?
You can request a quote for RefChem:1059966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1059966?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1059966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.