RefChem:375704
TL;DR: RefChem:375704 (CAS 5346-13-4) is a chemical compound with molecular formula C9H15Cl2N3O2S and molecular weight 299.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl carbamimidothioate;dihydrochloride
Also Known As: 2-((5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl)methyl)-2-thiopseudourea dihydrochloride, Pseudourea, 2-((5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl)methyl)-2-thio-, dihydrochloride, [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl carbamimidothioate dihydrochloride, Carbamimidothioic acid, (5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl)methyl ester, 2HCl, [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl carbamimidothioate,dihydrochloride
| Molecular Formula | C9H15Cl2N3O2S |
|---|---|
| Molecular Weight | 299.03 g/mol |
| LogP | 1.55819 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.0262 |
| Heavy Atoms | 17 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 5346-13-4 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CO)CSC(=N)N.Cl.Cl |
| InChIKey | ZQTBDCAMFNQZTM-UHFFFAOYSA-N |
Product Overview
RefChem:375704 (CAS 5346-13-4), with molecular formula C9H15Cl2N3O2S and molecular weight 299.03 g/mol. IUPAC: [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl carbamimidothioate;dihydrochloride.
Chemical Property Profile of RefChem:375704
Property Insights of RefChem:375704
The XLogP value of 1.55819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:375704. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:375704. Following Lipinski's Rule of Five, RefChem:375704 has 6 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:375704?
The CAS number of RefChem:375704 is 5346-13-4.
What is the molecular formula of RefChem:375704?
The molecular formula of RefChem:375704 is C9H15Cl2N3O2S.
What is the molecular weight of RefChem:375704?
The molecular weight of RefChem:375704 is 299.03 g/mol.
Where can I buy RefChem:375704?
You can request a quote for RefChem:375704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:375704?
Yes, KEHONG BIO provides custom synthesis services for RefChem:375704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.