RefChem:1075738
TL;DR: RefChem:1075738 (CAS 72720-12-8) is a chemical compound with molecular formula C10H21O4PS2 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[methyl(pentoxy)phosphoryl]sulfanylmethylsulfanyl]acetate
Also Known As: Acetic acid, 2-(mercaptomethylthio)-, methyl ester, S-ester with O-pentyl methylphosphonothioate, methyl 2-[[methyl(pentoxy)phosphoryl]sulfanylmethylsulfanyl]acetate, Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphadodecan-1-oate, ACETIC ACID, 2-(MERCAPTOMETHYLTHIO)-, METHYL ESTER, S-ESTER with O-PENTYL METHYL, RefChem:1075738
| Molecular Formula | C10H21O4PS2 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 300.0619 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 72720-12-8 |
|---|---|
| SMILES | CCCCCOP(=O)(C)SCSCC(=O)OC |
| InChIKey | XNQHFBHLSFWHSI-UHFFFAOYSA-N |
Product Overview
RefChem:1075738 (CAS 72720-12-8), with molecular formula C10H21O4PS2 and molecular weight 300.06 g/mol. IUPAC: methyl 2-[[methyl(pentoxy)phosphoryl]sulfanylmethylsulfanyl]acetate.
Chemical Property Profile of RefChem:1075738
Property Insights of RefChem:1075738
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075738. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075738. Following Lipinski's Rule of Five, RefChem:1075738 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:1075738?
The CAS number of RefChem:1075738 is 72720-12-8.
What is the molecular formula of RefChem:1075738?
The molecular formula of RefChem:1075738 is C10H21O4PS2.
What is the molecular weight of RefChem:1075738?
The molecular weight of RefChem:1075738 is 300.06 g/mol.
Where can I buy RefChem:1075738?
You can request a quote for RefChem:1075738 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075738?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075738 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.