Histacin
TL;DR: Histacin (CAS 537049-41-5) is a chemical compound with molecular formula C42H51N5O5 and molecular weight 705.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-aminophenyl)-N-[3-[(2S,4S,6R)-4-[(4-benzylpiperazin-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]heptanediamide
Also Known As: HISTACIN, Probes1_000162, Probes2_000137, DIOX-H_006201, J1.908.431K
| Molecular Formula | C42H51N5O5 |
|---|---|
| Molecular Weight | 705.39 g/mol |
| LogP | 6.652 |
| Topological Polar Surface Area | 129.39 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 705.38904 |
| Heavy Atoms | 52 |
| Complexity | 1728.5015 |
Chemical Identifiers
| CAS Number | 537049-41-5 |
|---|---|
| SMILES | C1CN(CCN1C[C@@H]2C[C@@H](O[C@@H](O2)C3=CC(=CC=C3)NC(=O)CCCCCC(=O)NC4=CC=CC=C4N)C5=CC=C(C=C5)CO)CC6=CC=CC=C6 |
Product Overview
Histacin (CAS 537049-41-5), with molecular formula C42H51N5O5 and molecular weight 705.39 g/mol. IUPAC: N'-(2-aminophenyl)-N-[3-[(2S,4S,6R)-4-[(4-benzylpiperazin-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]heptanediamide.
Chemical Property Profile of Histacin
Property Insights of Histacin
The XLogP value of 6.652 indicates that Histacin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Histacin. Following Lipinski's Rule of Five, Histacin has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Histacin?
The CAS number of Histacin is 537049-41-5.
What is the molecular formula of Histacin?
The molecular formula of Histacin is C42H51N5O5.
What is the molecular weight of Histacin?
The molecular weight of Histacin is 705.39 g/mol.
Where can I buy Histacin?
You can request a quote for Histacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Histacin?
Yes, KEHONG BIO provides custom synthesis services for Histacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.