![isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate structure](/static/products/5148/514855-93-7.webp)
isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
TL;DR: isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate (CAS 514855-93-7) is a chemical compound with molecular formula C32H37NO4S and molecular weight 531.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(9H-xanthene-9-carbonylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Also Known As: isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, propan-2-yl 2-(9H-xanthene-9-carbonylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, propan-2-yl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
| Molecular Formula | C32H37NO4S |
|---|---|
| Molecular Weight | 531.24 g/mol |
| LogP | 8.409 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 531.2443 |
| Heavy Atoms | 38 |
| Complexity | 1248.8617 |
Chemical Identifiers
| CAS Number | 514855-93-7 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35 |
Product Overview
isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate (CAS 514855-93-7), with molecular formula C32H37NO4S and molecular weight 531.24 g/mol. IUPAC: propan-2-yl 2-(9H-xanthene-9-carbonylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Property Insights of isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
The XLogP value of 8.409 indicates that isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate has 1 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 isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The CAS number of isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is 514855-93-7.
What is the molecular formula of isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The molecular formula of isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is C32H37NO4S.
What is the molecular weight of isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The molecular weight of isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is 531.24 g/mol.
Where can I buy isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
You can request a quote for isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[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 isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.