Thiamine disulfide hydrochloride
TL;DR: Thiamine disulfide hydrochloride (CAS 18642-10-9) is a chemical compound with molecular formula C24H35ClN8O4S2 and molecular weight 598.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide;hydrochloride
Also Known As: Thiamine disulfide HCl, Thiamine disulfide hydrochloride, THIAMINE DISULFIDE HYDROCHLORIDE [MI], THIAMINE DISULFIDE HYDROCHLORIDE [WHO-DD], Formamide, N,N'-(dithiobis(2-(2-hydroxyethyl)-1-methyl-2,1-ethenediyl))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-, monohydrochloride
| Molecular Formula | C24H35ClN8O4S2 |
|---|---|
| Molecular Weight | 598.19 g/mol |
| LogP | 2.69584 |
| Topological Polar Surface Area | 184.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 598.1911 |
| Heavy Atoms | 39 |
| Complexity | 1107.215 |
Chemical Identifiers
| CAS Number | 18642-10-9 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(/C(=C(\SS/C(=C(\N(C=O)CC2=CN=C(N=C2N)C)/C)/CCO)/CCO)/C)C=O.Cl |
Product Overview
Thiamine disulfide hydrochloride (CAS 18642-10-9), with molecular formula C24H35ClN8O4S2 and molecular weight 598.19 g/mol. IUPAC: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide;hydrochloride.
Chemical Property Profile of Thiamine disulfide hydrochloride
Property Insights of Thiamine disulfide hydrochloride
The XLogP value of 2.69584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiamine disulfide hydrochloride. The TPSA of 184.68 Ų indicates high polarity, suggesting Thiamine disulfide hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiamine disulfide hydrochloride has 4 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 Thiamine disulfide hydrochloride?
The CAS number of Thiamine disulfide hydrochloride is 18642-10-9.
What is the molecular formula of Thiamine disulfide hydrochloride?
The molecular formula of Thiamine disulfide hydrochloride is C24H35ClN8O4S2.
What is the molecular weight of Thiamine disulfide hydrochloride?
The molecular weight of Thiamine disulfide hydrochloride is 598.19 g/mol.
Where can I buy Thiamine disulfide hydrochloride?
You can request a quote for Thiamine disulfide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiamine disulfide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Thiamine disulfide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.