吡哆醇-5-异硫脲鎓溴化物
TL;DR: 吡哆醇-5-异硫脲鎓溴化物 (CAS 23679-46-1) is a chemical compound with molecular formula C9H14BrN3O2S and molecular weight 307.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡哆醇-5-异硫脲鎓溴化物
[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl carbamimidothioate;hydrobromide
Also Known As: Pyridoxine-5-isothiuronium bromide, KST-1A3054, Copper(II) trifluoroacetylacetonate, [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl carbamimidothioate hydrobromide(1:1), 2-((5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl)methyl)-2-thio-pseudourea hydrobromide
| Molecular Formula | C9H14BrN3O2S |
|---|---|
| Molecular Weight | 307.00 g/mol |
| LogP | 1.29 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.99902 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 23679-46-1 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CO)CSC(=N)N.Br |
| InChIKey | LQHQIUUOLFXMNI-UHFFFAOYSA-N |
Product Overview
吡哆醇-5-异硫脲鎓溴化物 (CAS 23679-46-1), with molecular formula C9H14BrN3O2S and molecular weight 307.00 g/mol. IUPAC: [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl carbamimidothioate;hydrobromide.
Chemical Property Profile of 吡哆醇-5-异硫脲鎓溴化物
Property Insights of 吡哆醇-5-异硫脲鎓溴化物
The XLogP value of 1.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡哆醇-5-异硫脲鎓溴化物. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 吡哆醇-5-异硫脲鎓溴化物. Following Lipinski's Rule of Five, 吡哆醇-5-异硫脲鎓溴化物 has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 吡哆醇-5-异硫脲鎓溴化物?
The CAS number of 吡哆醇-5-异硫脲鎓溴化物 is 23679-46-1.
What is the molecular formula of 吡哆醇-5-异硫脲鎓溴化物?
The molecular formula of 吡哆醇-5-异硫脲鎓溴化物 is C9H14BrN3O2S.
What is the molecular weight of 吡哆醇-5-异硫脲鎓溴化物?
The molecular weight of 吡哆醇-5-异硫脲鎓溴化物 is 307.00 g/mol.
Where can I buy 吡哆醇-5-异硫脲鎓溴化物?
You can request a quote for 吡哆醇-5-异硫脲鎓溴化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡哆醇-5-异硫脲鎓溴化物?
Yes, KEHONG BIO provides custom synthesis services for 吡哆醇-5-异硫脲鎓溴化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.