Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate
TL;DR: Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate (CAS 7168-23-2) is a chemical compound with molecular formula C23H20N4O5S and molecular weight 464.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dimethoxyphenyl)-3-[3-[(4-nitrophenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate, 4-(2,4-Dimethoxyphenyl)-5-{3-[(4-nitrophenoxy)methyl]phenyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(2,4-dimethoxyphenyl)-3-[3-[(4-nitrophenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione, 4-(2,4-dimethoxyphenyl)-5-[3-[(4-nitrophenoxy)methyl]phenyl]-2H-1,2,4-triazole-3-thione, 4-(2,4-dimethoxyphenyl)-5-{3-[(4-nitrophenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C23H20N4O5S |
|---|---|
| Molecular Weight | 464.12 g/mol |
| LogP | 5.10129 |
| Topological Polar Surface Area | 104.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.11545 |
| Heavy Atoms | 33 |
| Complexity | 1347.7216 |
Chemical Identifiers
| CAS Number | 7168-23-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CC=CC(=C3)COC4=CC=C(C=C4)[N+](=O)[O-])OC |
Product Overview
Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate (CAS 7168-23-2), with molecular formula C23H20N4O5S and molecular weight 464.12 g/mol. IUPAC: 4-(2,4-dimethoxyphenyl)-3-[3-[(4-nitrophenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate
Property Insights of Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate
The XLogP value of 5.10129 indicates that Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate. Following Lipinski's Rule of Five, Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate has 1 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 Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate?
The CAS number of Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate is 7168-23-2.
What is the molecular formula of Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate?
The molecular formula of Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate is C23H20N4O5S.
What is the molecular weight of Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate?
The molecular weight of Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate is 464.12 g/mol.
Where can I buy Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate?
You can request a quote for Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.