大青素
TL;DR: 大青素 (CAS 464-71-1) is a chemical compound with molecular formula C7H13N2O3PS3 and molecular weight 299.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
大青素
2-(dimethoxyphosphorylsulfanylmethyl)-5-ethylsulfanyl-1,3,4-thiadiazole
Also Known As: Phosphorothioic acid, O,O-dimethyl S-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)methyl) ester, O,O-Dimethyl S-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)methyl) phosphorothioate, s-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]methyl} o,o-dimethyl phosphorothioate, 2-(dimethoxyphosphorylsulfanylmethyl)-5-ethylsulfanyl-1,3,4-thiadiazole, Phosphorothioic acid,O,O-dimethyl S-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)methyl) ester
| Molecular Formula | C7H13N2O3PS3 |
|---|---|
| Molecular Weight | 299.98 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.9826 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 464-71-1 |
|---|---|
| SMILES | CCSC1=NN=C(S1)CSP(=O)(OC)OC |
| InChIKey | YSXBGJGHFNRKPK-UHFFFAOYSA-N |
Product Overview
大青素 (CAS 464-71-1), with molecular formula C7H13N2O3PS3 and molecular weight 299.98 g/mol. IUPAC: 2-(dimethoxyphosphorylsulfanylmethyl)-5-ethylsulfanyl-1,3,4-thiadiazole.
Chemical Property Profile of 大青素
Property Insights of 大青素
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 大青素. The TPSA of 140.0 Ų indicates high polarity, suggesting 大青素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 大青素 has 0 hydrogen bond donor(s) and 8 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 大青素?
The CAS number of 大青素 is 464-71-1.
What is the molecular formula of 大青素?
The molecular formula of 大青素 is C7H13N2O3PS3.
What is the molecular weight of 大青素?
The molecular weight of 大青素 is 299.98 g/mol.
Where can I buy 大青素?
You can request a quote for 大青素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 大青素?
Yes, KEHONG BIO provides custom synthesis services for 大青素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.