![3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid structure](/static/products/220/220031-86-7.png)
3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid
TL;DR: 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid (CAS 220031-86-7) is a chemical compound with molecular formula C18H27N2O6PS and molecular weight 430.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(2S,4S)-1-di(propan-2-yloxy)phosphoryl-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid
Also Known As: Ertapenem Impurity DIPP, J1.785.779G, 3-((2S,4S)-1-(Diisopropoxyphosphoryl)-4-mercaptopyrrolidine-2-carboxamido)benzoic acid, 3-[[(2S,4S)-1-di(propan-2-yloxy)phosphoryl-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid, 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid
| Molecular Formula | C18H27N2O6PS |
|---|---|
| Molecular Weight | 430.13 g/mol |
| LogP | 3.6541 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 430.13275 |
| Heavy Atoms | 28 |
| Complexity | 758.19763 |
Chemical Identifiers
| CAS Number | 220031-86-7 |
|---|---|
| SMILES | CC(C)OP(=O)(N1C[C@H](C[C@H]1C(=O)NC2=CC=CC(=C2)C(=O)O)S)OC(C)C |
Product Overview
3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid (CAS 220031-86-7), with molecular formula C18H27N2O6PS and molecular weight 430.13 g/mol. IUPAC: 3-[[(2S,4S)-1-di(propan-2-yloxy)phosphoryl-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid.
Chemical Property Profile of 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid
Property Insights of 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid
The XLogP value of 3.6541 indicates that 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid. Following Lipinski's Rule of Five, 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid has 3 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 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid?
The CAS number of 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid is 220031-86-7.
What is the molecular formula of 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid?
The molecular formula of 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid is C18H27N2O6PS.
What is the molecular weight of 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid?
The molecular weight of 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid is 430.13 g/mol.
Where can I buy 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid?
You can request a quote for 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.