RefChem:1083804
TL;DR: RefChem:1083804 (CAS 21988-67-0) is a chemical compound with molecular formula C14H33NO6P2S and molecular weight 405.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-di(propan-2-yloxy)phosphoryl-N-[2-[methoxy(propoxy)phosphoryl]sulfanylethyl]ethanamine
Also Known As: Phosphorothioic acid, O-methyl O-propyl S-(O',O'-diisopropyl-N-ethylphosphoramido)ethyl ester, Dipropan-2-yl (7-methoxy-7-oxo-8-oxa-6-thia-3-aza-7lambda~5~-phosphaundecan-1-yl)phosphonate, dipropan-2-yl(7-methoxy-7-oxido-8-oxa-6-thia-3-aza-7, E5-phosphaundec-1-yl)phosphonate, N-(2-dipropan-2-yloxyphosphorylethyl)-2-(methoxy-propoxy-phosphoryl)sulfanyl-ethanamine
| Molecular Formula | C14H33NO6P2S |
|---|---|
| Molecular Weight | 405.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 405.1504 |
| Heavy Atoms | 24 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 21988-67-0 |
|---|---|
| SMILES | CCCOP(=O)(OC)SCCNCCP(=O)(OC(C)C)OC(C)C |
| InChIKey | IDOJJLWJNNKBPE-UHFFFAOYSA-N |
Product Overview
RefChem:1083804 (CAS 21988-67-0), with molecular formula C14H33NO6P2S and molecular weight 405.15 g/mol. IUPAC: 2-di(propan-2-yloxy)phosphoryl-N-[2-[methoxy(propoxy)phosphoryl]sulfanylethyl]ethanamine.
Chemical Property Profile of RefChem:1083804
Property Insights of RefChem:1083804
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083804. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083804. Following Lipinski's Rule of Five, RefChem:1083804 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:1083804?
The CAS number of RefChem:1083804 is 21988-67-0.
What is the molecular formula of RefChem:1083804?
The molecular formula of RefChem:1083804 is C14H33NO6P2S.
What is the molecular weight of RefChem:1083804?
The molecular weight of RefChem:1083804 is 405.15 g/mol.
Where can I buy RefChem:1083804?
You can request a quote for RefChem:1083804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083804?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.