Thiamine naphthalene-1,5-disulfonate
TL;DR: Thiamine naphthalene-1,5-disulfonate (CAS 573-09-1) is a chemical compound with molecular formula C22H24N4O7S3 and molecular weight 552.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;5-sulfonaphthalene-1-sulfonate
Also Known As: Thiamine naphthalene-1,5-disulfonate, THIAMINE, 1,5-NAPHTHALENEDISULFONATE (1:1), 1,5-NAPHTHALENEDISULFONIC ACID, ION(1-), THIAMINE, 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium hydrogen naphthalene-1,5-disulphonate, 1,5-NAPHTHALENEDISULFONIC ACID, ION(1-), 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM
| Molecular Formula | C22H24N4O7S3 |
|---|---|
| Molecular Weight | 552.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 552.0807 |
| Heavy Atoms | 36 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 573-09-1 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)O |
| InChIKey | STJLLECREIYBCK-UHFFFAOYSA-M |
Product Overview
Thiamine naphthalene-1,5-disulfonate (CAS 573-09-1), with molecular formula C22H24N4O7S3 and molecular weight 552.08 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;5-sulfonaphthalene-1-sulfonate.
Chemical Property Profile of Thiamine naphthalene-1,5-disulfonate
Property Insights of Thiamine naphthalene-1,5-disulfonate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiamine naphthalene-1,5-disulfonate. The TPSA of 232.0 Ų indicates high polarity, suggesting Thiamine naphthalene-1,5-disulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiamine naphthalene-1,5-disulfonate has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiamine naphthalene-1,5-disulfonate?
The CAS number of Thiamine naphthalene-1,5-disulfonate is 573-09-1.
What is the molecular formula of Thiamine naphthalene-1,5-disulfonate?
The molecular formula of Thiamine naphthalene-1,5-disulfonate is C22H24N4O7S3.
What is the molecular weight of Thiamine naphthalene-1,5-disulfonate?
The molecular weight of Thiamine naphthalene-1,5-disulfonate is 552.08 g/mol.
Where can I buy Thiamine naphthalene-1,5-disulfonate?
You can request a quote for Thiamine naphthalene-1,5-disulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiamine naphthalene-1,5-disulfonate?
Yes, KEHONG BIO provides custom synthesis services for Thiamine naphthalene-1,5-disulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.