Sertum
TL;DR: Sertum (CAS 6665-72-1) is a chemical compound with molecular formula C23H36N2O11 and molecular weight 516.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
Also Known As: Sertum, Galactaric acid, compd. with 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2(1H)-isoquinolinecarboxaldehyde (1:2), 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydroisoquinoline-2(1h)-carbaldehyde- d-galactaric acid(1:1), 2(1H)-Isoquinolinecarboxaldehyde, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihydro-, galactarate (salt), 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
| Molecular Formula | C23H36N2O11 |
|---|---|
| Molecular Weight | 516.23 g/mol |
| LogP | -2.0719 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 516.23193 |
| Heavy Atoms | 36 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 6665-72-1 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC2=C1CCN(C2)C=O)O.[C@@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O |
| InChIKey | DKLSJUMHEGAAAE-OPDGLEOBSA-N |
Product Overview
Sertum (CAS 6665-72-1), with molecular formula C23H36N2O11 and molecular weight 516.23 g/mol. IUPAC: 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid.
Chemical Property Profile of Sertum
Property Insights of Sertum
The XLogP value of -2.0719 indicates that Sertum is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 217.0 Ų indicates high polarity, suggesting Sertum may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sertum has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sertum?
The CAS number of Sertum is 6665-72-1.
What is the molecular formula of Sertum?
The molecular formula of Sertum is C23H36N2O11.
What is the molecular weight of Sertum?
The molecular weight of Sertum is 516.23 g/mol.
Where can I buy Sertum?
You can request a quote for Sertum directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sertum?
Yes, KEHONG BIO provides custom synthesis services for Sertum and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.