Amicarbalide isethionate
TL;DR: Amicarbalide isethionate (CAS 3671-72-5) is a chemical compound with molecular formula C17H22N6O5S and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(3-carbamimidoylphenyl)urea;2-hydroxyethanesulfonic acid
Also Known As: Diamprone, Diampron, Amicarbalide diisethionate, Amicarbalide isethionate, Amicarbalide isetionate
| Molecular Formula | C17H22N6O5S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 0.77 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.13724 |
| Heavy Atoms | 29 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 3671-72-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=N)N)C(=N)N.C(CS(=O)(=O)O)O |
| InChIKey | ULIMEAUEIJDDSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amicarbalide isethionate (CAS 3671-72-5), with molecular formula C17H22N6O5S and molecular weight 422.14 g/mol. IUPAC: 1,3-bis(3-carbamimidoylphenyl)urea;2-hydroxyethanesulfonic acid.
Chemical Property Profile of Amicarbalide isethionate
Property Insights of Amicarbalide isethionate
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amicarbalide isethionate. The TPSA of 224.0 Ų indicates high polarity, suggesting Amicarbalide isethionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amicarbalide isethionate has 8 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 Amicarbalide isethionate?
The CAS number of Amicarbalide isethionate is 3671-72-5.
What is the molecular formula of Amicarbalide isethionate?
The molecular formula of Amicarbalide isethionate is C17H22N6O5S.
What is the molecular weight of Amicarbalide isethionate?
The molecular weight of Amicarbalide isethionate is 422.14 g/mol.
Where can I buy Amicarbalide isethionate?
You can request a quote for Amicarbalide isethionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amicarbalide isethionate?
Yes, KEHONG BIO provides custom synthesis services for Amicarbalide isethionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.