![2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid structure](/static/products/2210/221076-20-6.webp)
2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid
TL;DR: 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid (CAS 221076-20-6) is a chemical compound with molecular formula C30H37N3O10 and molecular weight 599.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid
2-(carboxymethoxy)-5-[2-[[2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid
Also Known As: N0001-013354, 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid, 2-(Carboxymethoxy)-5-[2-[[2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid, 2-(carboxymethyloxy)-5-[2-[[2-[(4-hydroxy-4-oxobutanoyl)amino]-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid, INX
| Molecular Formula | C30H37N3O10 |
|---|---|
| Molecular Weight | 599.25 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Exact Mass | 599.2479 |
| Heavy Atoms | 43 |
| Complexity | 952.0 |
Chemical Identifiers
| CAS Number | 221076-20-6 |
|---|---|
| SMILES | CCCCCNC(=O)C(CC1=CC(=C(C=C1)OCC(=O)O)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)CCC(=O)O |
| InChIKey | PUAJYWYRZTYQKS-UHFFFAOYSA-N |
Product Overview
2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid (CAS 221076-20-6), with molecular formula C30H37N3O10 and molecular weight 599.25 g/mol. IUPAC: 2-(carboxymethoxy)-5-[2-[[2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid.
Chemical Property Profile of 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid
Property Insights of 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid. The TPSA of 208.0 Ų indicates high polarity, suggesting 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid?
The CAS number of 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid is 221076-20-6.
What is the molecular formula of 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid?
The molecular formula of 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid is C30H37N3O10.
What is the molecular weight of 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid?
The molecular weight of 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid is 599.25 g/mol.
Where can I buy 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid?
You can request a quote for 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.