![3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate structure](/static/products/4382/438230-67-2.webp)
3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate
TL;DR: 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate (CAS 438230-67-2) is a chemical compound with molecular formula C19H27NO5S and molecular weight 381.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-ethoxycarbonyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl)amino]-5-oxopentanoic acid
Also Known As: 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate, 5-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]amino}-5-oxopentanoic acid, 5-[(3-ethoxycarbonyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl)amino]-5-oxopentanoic acid, 4-[(12-ethoxycarbonyl-10-thiabicyclo[7.3.0]dodeca-11,13-dien-11-yl)carbamoyl]butanoic Acid, 4-{[3-(ETHOXYCARBONYL)-4H,5H,6H,7H,8H,9H,10H-CYCLONONA[B]THIOPHEN-2-YL]CARBAMOYL}BUTANOIC ACID
| Molecular Formula | C19H27NO5S |
|---|---|
| Molecular Weight | 381.16 g/mol |
| LogP | 4.1673 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.16098 |
| Heavy Atoms | 26 |
| Complexity | 652.59985 |
Chemical Identifiers
| CAS Number | 438230-67-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCCC2)NC(=O)CCCC(=O)O |
Product Overview
3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate (CAS 438230-67-2), with molecular formula C19H27NO5S and molecular weight 381.16 g/mol. IUPAC: 5-[(3-ethoxycarbonyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl)amino]-5-oxopentanoic acid.
Chemical Property Profile of 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate
Property Insights of 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate
The XLogP value of 4.1673 indicates that 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate 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 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 5 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-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate?
The CAS number of 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate is 438230-67-2.
What is the molecular formula of 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate?
The molecular formula of 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate is C19H27NO5S.
What is the molecular weight of 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate?
The molecular weight of 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate is 381.16 g/mol.
Where can I buy 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate?
You can request a quote for 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.