![1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate structure](/static/products/4385/438531-54-5.webp)
1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate
TL;DR: 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate (CAS 438531-54-5) is a chemical compound with molecular formula C28H39NO4S and molecular weight 485.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(3-propan-2-yloxybenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Also Known As: 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate, isopropyl 2-[(3-isopropoxybenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, propan-2-yl 2-[(3-propan-2-yloxybenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, methylethyl 2-{[3-(methylethoxy)phenyl]carbonylamino}-4,5,6,7,8,9,10,11,12,13- decahydrocyclododeca[1,2-b]thiophene-3-carboxylate, propan-2-yl 2-({[3-(propan-2-yloxy)phenyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
| Molecular Formula | C28H39NO4S |
|---|---|
| Molecular Weight | 485.26 g/mol |
| LogP | 7.5722 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.25998 |
| Heavy Atoms | 34 |
| Complexity | 963.31085 |
Chemical Identifiers
| CAS Number | 438531-54-5 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCCCCCCC3)C(=O)OC(C)C |
Product Overview
1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate (CAS 438531-54-5), with molecular formula C28H39NO4S and molecular weight 485.26 g/mol. IUPAC: propan-2-yl 2-[(3-propan-2-yloxybenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate.
Chemical Property Profile of 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate
Property Insights of 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate
The XLogP value of 7.5722 indicates that 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[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 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[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 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate?
The CAS number of 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate is 438531-54-5.
What is the molecular formula of 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate?
The molecular formula of 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate is C28H39NO4S.
What is the molecular weight of 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate?
The molecular weight of 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate is 485.26 g/mol.
Where can I buy 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate?
You can request a quote for 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[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 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2-[[3-(1-methylethoxy)benzoyl]amino]cyclododeca[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.