THCAD
TL;DR: THCAD (CAS 117604-19-0) is a chemical compound with molecular formula C13H25NO9 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)cyclohexane-1,2,3-triol
Also Known As: THCAD, ((1,2,4-3,5)-2,3,4-Trihydroxy-5-hydroxymethyl-1-cyclohexyl)2-amino-2-deoxy-alpha-glucopyranoside, 4-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)cyclohexane-1,2,3-triol, 1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-2,3-dideoxy-3-(hydroxymethyl)-D-myo-inositol, D-myo-Inositol, 1-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-2,3-dideoxy-3-(hydroxymethyl)-
| Molecular Formula | C13H25NO9 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | -4.7672 |
| Topological Polar Surface Area | 186.09 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.15292 |
| Heavy Atoms | 23 |
| Complexity | 348.4567 |
Chemical Identifiers
| CAS Number | 117604-19-0 |
|---|---|
| SMILES | C1C(C(C(C(C1OC2C(C(C(C(O2)CO)O)O)N)O)O)O)CO |
Product Overview
THCAD (CAS 117604-19-0), with molecular formula C13H25NO9 and molecular weight 339.15 g/mol. IUPAC: 4-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)cyclohexane-1,2,3-triol.
Chemical Property Profile of THCAD
Property Insights of THCAD
The XLogP value of -4.7672 indicates that THCAD is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.09 Ų indicates high polarity, suggesting THCAD may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, THCAD has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of THCAD?
The CAS number of THCAD is 117604-19-0.
What is the molecular formula of THCAD?
The molecular formula of THCAD is C13H25NO9.
What is the molecular weight of THCAD?
The molecular weight of THCAD is 339.15 g/mol.
Where can I buy THCAD?
You can request a quote for THCAD directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for THCAD?
Yes, KEHONG BIO provides custom synthesis services for THCAD and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.