RefChem:1083803
TL;DR: RefChem:1083803 (CAS 21988-66-9) is a chemical compound with molecular formula C12H29NO6P2S and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-dimethoxyphosphorylsulfanylethyl)-2-di(propan-2-yloxy)phosphorylethanamine
Also Known As: Phosphorothioic acid, O,O-dimethyl S-(O',O'-diisopropyl-N-ethylphosphoramido)ethyl ester, Dipropan-2-yl (3-methoxy-3-oxo-2-oxa-4-thia-7-aza-3lambda~5~-phosphanonan-9-yl)phosphonate, dipropan-2-yl(3-methoxy-3-oxido-2-oxa-4-thia-7-aza-3, E5-phosphanonan-9-yl)phosphonate, Phosphoramidic acid, (N-(O',O'-dimethylphosphorothio)ethyl-N-ethyl)-, O,O'-diisopropyl ester
| Molecular Formula | C12H29NO6P2S |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 377.11908 |
| Heavy Atoms | 22 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 21988-66-9 |
|---|---|
| SMILES | CC(C)OP(=O)(CCNCCSP(=O)(OC)OC)OC(C)C |
| InChIKey | OAGDLJXFQAALNK-UHFFFAOYSA-N |
Product Overview
RefChem:1083803 (CAS 21988-66-9), with molecular formula C12H29NO6P2S and molecular weight 377.12 g/mol. IUPAC: N-(2-dimethoxyphosphorylsulfanylethyl)-2-di(propan-2-yloxy)phosphorylethanamine.
Chemical Property Profile of RefChem:1083803
Property Insights of RefChem:1083803
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083803. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083803. Following Lipinski's Rule of Five, RefChem:1083803 has 1 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 RefChem:1083803?
The CAS number of RefChem:1083803 is 21988-66-9.
What is the molecular formula of RefChem:1083803?
The molecular formula of RefChem:1083803 is C12H29NO6P2S.
What is the molecular weight of RefChem:1083803?
The molecular weight of RefChem:1083803 is 377.12 g/mol.
Where can I buy RefChem:1083803?
You can request a quote for RefChem:1083803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083803?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.