Dicarboxidine hydrochloride
TL;DR: Dicarboxidine hydrochloride (CAS 56455-90-4) is a chemical compound with molecular formula C20H26Cl2N2O6 and molecular weight 460.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-amino-5-[4-amino-3-(3-carboxypropoxy)phenyl]phenoxy]butanoic acid;dihydrochloride
Also Known As: Dicarboxidine dihydrochloride, Dicarboxidine, Dicarboxidine . 2 HCl, Dicarboxidine hydrochloride, Dicarboxidine 2HCI
| Molecular Formula | C20H26Cl2N2O6 |
|---|---|
| Molecular Weight | 460.12 g/mol |
| LogP | 3.85 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 460.1168 |
| Heavy Atoms | 30 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 56455-90-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CC(=C(C=C2)N)OCCCC(=O)O)OCCCC(=O)O)N.Cl.Cl |
| InChIKey | BABQSVIBQAEEQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dicarboxidine hydrochloride (CAS 56455-90-4), with molecular formula C20H26Cl2N2O6 and molecular weight 460.12 g/mol. IUPAC: 4-[2-amino-5-[4-amino-3-(3-carboxypropoxy)phenyl]phenoxy]butanoic acid;dihydrochloride.
Chemical Property Profile of Dicarboxidine hydrochloride
Property Insights of Dicarboxidine hydrochloride
The XLogP value of 3.85 indicates that Dicarboxidine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting Dicarboxidine hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dicarboxidine hydrochloride has 6 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 Dicarboxidine hydrochloride?
The CAS number of Dicarboxidine hydrochloride is 56455-90-4.
What is the molecular formula of Dicarboxidine hydrochloride?
The molecular formula of Dicarboxidine hydrochloride is C20H26Cl2N2O6.
What is the molecular weight of Dicarboxidine hydrochloride?
The molecular weight of Dicarboxidine hydrochloride is 460.12 g/mol.
Where can I buy Dicarboxidine hydrochloride?
You can request a quote for Dicarboxidine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dicarboxidine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Dicarboxidine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.