RefChem:1075735
TL;DR: RefChem:1075735 (CAS 74789-28-9) is a chemical compound with molecular formula C9H19O4PS2 and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[butoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate
Also Known As: methyl 2-[[butoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate, Acetic acid, 2-(mercaptomethylthio)-, methyl ester, S-ester with O-butyl methylphosphonothioate, Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphaundecan-1-oate, ACETIC ACID, 2-(MERCAPTOMETHYLTHIO)-, METHYL ESTER, S-ESTER with O-BUTYL METHYLP, RefChem:1075735
| Molecular Formula | C9H19O4PS2 |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 286.04623 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 74789-28-9 |
|---|---|
| SMILES | CCCCOP(=O)(C)SCSCC(=O)OC |
| InChIKey | QQBOTXMTUYPWCV-UHFFFAOYSA-N |
Product Overview
RefChem:1075735 (CAS 74789-28-9), with molecular formula C9H19O4PS2 and molecular weight 286.05 g/mol. IUPAC: methyl 2-[[butoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate.
Chemical Property Profile of RefChem:1075735
Property Insights of RefChem:1075735
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075735. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075735. Following Lipinski's Rule of Five, RefChem:1075735 has 0 hydrogen bond donor(s) and 6 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 RefChem:1075735?
The CAS number of RefChem:1075735 is 74789-28-9.
What is the molecular formula of RefChem:1075735?
The molecular formula of RefChem:1075735 is C9H19O4PS2.
What is the molecular weight of RefChem:1075735?
The molecular weight of RefChem:1075735 is 286.05 g/mol.
Where can I buy RefChem:1075735?
You can request a quote for RefChem:1075735 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075735?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075735 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.