RefChem:1085514
TL;DR: RefChem:1085514 (CAS 49575-13-5) is a chemical compound with molecular formula C26H38N8O4S4 and molecular weight 654.19 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-methylsulfinylpent-2-en-3-yl]disulfanyl]-5-methylsulfinylpent-2-en-2-yl]formamide
Also Known As: Methylsulfinylethylthiamine-disulfide, 5-25-12-00180 (Beilstein Handbook Reference), Formamide, N,N'-(dithiobis(1-methyl-2-(2-(methylsulfinyl)ethyl)-2,1-ethenediyl))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-, N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-methylsulfinylpent-2-en-3-yl]disulfanyl]-5-methylsulfinylpent-2-en-2-yl]formamide, RefChem:1085514
| Molecular Formula | C26H38N8O4S4 |
|---|---|
| Molecular Weight | 654.19 g/mol |
| LogP | 3.04644 |
| Topological Polar Surface Area | 178.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 654.1899 |
| Heavy Atoms | 42 |
| Complexity | 1282.5681 |
Chemical Identifiers
| CAS Number | 49575-13-5 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(/C(=C(\SS/C(=C(\N(C=O)CC2=CN=C(N=C2N)C)/C)/CCS(=O)C)/CCS(=O)C)/C)C=O |
Product Overview
RefChem:1085514 (CAS 49575-13-5), with molecular formula C26H38N8O4S4 and molecular weight 654.19 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-methylsulfinylpent-2-en-3-yl]disulfanyl]-5-methylsulfinylpent-2-en-2-yl]formamide.
Chemical Property Profile of RefChem:1085514
Property Insights of RefChem:1085514
The XLogP value of 3.04644 indicates that RefChem:1085514 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.36 Ų indicates high polarity, suggesting RefChem:1085514 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1085514 has 2 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 RefChem:1085514?
The CAS number of RefChem:1085514 is 49575-13-5.
What is the molecular formula of RefChem:1085514?
The molecular formula of RefChem:1085514 is C26H38N8O4S4.
What is the molecular weight of RefChem:1085514?
The molecular weight of RefChem:1085514 is 654.19 g/mol.
Where can I buy RefChem:1085514?
You can request a quote for RefChem:1085514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1085514?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1085514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.