9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide
TL;DR: 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide (CAS 21384-73-6) is a chemical compound with molecular formula C9H18NO5PS2 and molecular weight 315.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]propanoic acid
Also Known As: 3-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]propanoic Acid, 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide, N-{[(diethoxyphosphorothioyl)sulfanyl]acetyl}-beta-alanine, beta-Alanine, N-(mercaptoacetyl)-, S-ester with O,O-diethyl phosphorodithioate
| Molecular Formula | C9H18NO5PS2 |
|---|---|
| Molecular Weight | 315.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 315.0364 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 21384-73-6 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCC(=O)NCCC(=O)O |
| InChIKey | FIVGUTIBSRKJCU-UHFFFAOYSA-N |
Product Overview
9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide (CAS 21384-73-6), with molecular formula C9H18NO5PS2 and molecular weight 315.04 g/mol. IUPAC: 3-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]propanoic acid.
Chemical Property Profile of 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide
Property Insights of 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide. The TPSA of 142.0 Ų indicates high polarity, suggesting 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide has 2 hydrogen bond donor(s) and 7 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 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide?
The CAS number of 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide is 21384-73-6.
What is the molecular formula of 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide?
The molecular formula of 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide is C9H18NO5PS2.
What is the molecular weight of 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide?
The molecular weight of 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide is 315.04 g/mol.
Where can I buy 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide?
You can request a quote for 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 9-Oxa-7-thia-4-aza-8-phosphaundecanoic acid, 8-ethoxy-5-oxo-, 8-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.