N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine
TL;DR: N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine (CAS 54135-84-1) is a chemical compound with molecular formula C21H27N3O6 and molecular weight 417.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[3-[(2,3-dihydroxybenzoyl)amino]propylamino]butyl]-2,3-dihydroxybenzamide
Also Known As: N(1),N(8)-Bis(2,3-dihydroxybenzoyl)spermidine, Cid 124166, N-[4-[3-[(2,3-dihydroxybenzoyl)amino]propylamino]butyl]-2,3-dihydroxybenzamide, Benzamide, N-(3-((4-((2,3-dihydroxybenzoyl)amino)butyl)amino)propyl)-2,3-dihydroxy-, Benzamide,N-(3-((4-((2,3-dihydroxybenzoyl)amino)butyl)amino)propyl)-2,3-dihydroxy
| Molecular Formula | C21H27N3O6 |
|---|---|
| Molecular Weight | 417.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 417.18997 |
| Heavy Atoms | 30 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 54135-84-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)O)O)C(=O)NCCCCNCCCNC(=O)C2=C(C(=CC=C2)O)O |
| InChIKey | MNVMFIYGHOFQEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine (CAS 54135-84-1), with molecular formula C21H27N3O6 and molecular weight 417.19 g/mol. IUPAC: N-[4-[3-[(2,3-dihydroxybenzoyl)amino]propylamino]butyl]-2,3-dihydroxybenzamide.
Chemical Property Profile of N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine
Property Insights of N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine. The TPSA of 151.0 Ų indicates high polarity, suggesting N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine has 7 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 N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine?
The CAS number of N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine is 54135-84-1.
What is the molecular formula of N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine?
The molecular formula of N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine is C21H27N3O6.
What is the molecular weight of N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine?
The molecular weight of N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine is 417.19 g/mol.
Where can I buy N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine?
You can request a quote for N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine?
Yes, KEHONG BIO provides custom synthesis services for N(1),N(8)-bis(2,3-dihydroxybenzoyl)spermidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.