![4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid structure](/static/products/4449/444923-39-1.webp)
4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid
TL;DR: 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid (CAS 444923-39-1) is a chemical compound with molecular formula C22H33NO5S and molecular weight 423.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid
Also Known As: 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid, 4-oxo-4-{[3-(propoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]amino}butanoic acid, 3-{[3-(PROPOXYCARBONYL)-4H,5H,6H,7H,8H,9H,10H,11H,12H,13H-CYCLODODECA[B]THIOPHEN-2-YL]CARBAMOYL}PROPANOIC ACID, 3-{N-[3-(propoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[2,1-d]t hiophen-2-yl]carbamoyl}propanoic acid, 4-oxo-4-((3-(propoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino)butanoic acid
| Molecular Formula | C22H33NO5S |
|---|---|
| Molecular Weight | 423.21 g/mol |
| LogP | 5.3376 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.20795 |
| Heavy Atoms | 29 |
| Complexity | 697.6199 |
Chemical Identifiers
| CAS Number | 444923-39-1 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)CCC(=O)O |
Product Overview
4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid (CAS 444923-39-1), with molecular formula C22H33NO5S and molecular weight 423.21 g/mol. IUPAC: 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid.
Chemical Property Profile of 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid
Property Insights of 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid
The XLogP value of 5.3376 indicates that 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid. Following Lipinski's Rule of Five, 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid?
The CAS number of 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid is 444923-39-1.
What is the molecular formula of 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid?
The molecular formula of 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid is C22H33NO5S.
What is the molecular weight of 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid?
The molecular weight of 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid is 423.21 g/mol.
Where can I buy 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid?
You can request a quote for 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-4-[(3-propoxycarbonyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.