N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane
TL;DR: N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane (CAS 71659-79-5) is a chemical compound with molecular formula C28H31N3O18S3 and molecular weight 793.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2,3-dihydroxy-5-sulfobenzoyl)-[3-[(2,3-dihydroxy-5-sulfobenzoyl)amino]propyl]amino]butylcarbamoyl]-4,5-dihydroxybenzenesulfonic acid
Also Known As: Licam(S), 3,4-Licams, N,N',N''-tris -1,5,10-triazadecane, N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane, 1,5-N,N',N''-Tris(sulfanato-2,3-dihydroxybenzoyl)-1,5,10-triazadecane
| Molecular Formula | C28H31N3O18S3 |
|---|---|
| Molecular Weight | 793.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 388.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 15 |
| Exact Mass | 793.0765 |
| Heavy Atoms | 52 |
| Complexity | 1580.0 |
Chemical Identifiers
| CAS Number | 71659-79-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C(=O)NCCCCN(CCCNC(=O)C2=C(C(=CC(=C2)S(=O)(=O)O)O)O)C(=O)C3=C(C(=CC(=C3)S(=O)(=O)O)O)O)O)O)S(=O)(=O)O |
| InChIKey | GJMLOFRRXVDXGW-UHFFFAOYSA-N |
Product Overview
N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane (CAS 71659-79-5), with molecular formula C28H31N3O18S3 and molecular weight 793.08 g/mol. IUPAC: 3-[4-[(2,3-dihydroxy-5-sulfobenzoyl)-[3-[(2,3-dihydroxy-5-sulfobenzoyl)amino]propyl]amino]butylcarbamoyl]-4,5-dihydroxybenzenesulfonic acid.
Chemical Property Profile of N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane
Property Insights of N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane. The TPSA of 388.0 Ų indicates high polarity, suggesting N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane has 11 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane?
The CAS number of N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane is 71659-79-5.
What is the molecular formula of N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane?
The molecular formula of N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane is C28H31N3O18S3.
What is the molecular weight of N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane?
The molecular weight of N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane is 793.08 g/mol.
Where can I buy N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane?
You can request a quote for N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane?
Yes, KEHONG BIO provides custom synthesis services for N,N',N''-Tris(2,3-dihydroxy-5-sulfobenzoyl)-1,5,10-triazadecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.