![methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate structure](/static/products/4450/445016-33-1.webp)
methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
TL;DR: methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate (CAS 445016-33-1) is a chemical compound with molecular formula C24H29Cl2NO4S and molecular weight 497.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Also Known As: methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, methyl 2-{[(2,4-dichlorophenoxy)acetyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, methyl 2-[2-(2,4-dichlorophenoxy)acetylamino]-4,5,6,7,8,9,10,11,12,13-decahydr ocyclododeca[1,2-b]thiophene-3-carboxylate
| Molecular Formula | C24H29Cl2NO4S |
|---|---|
| Molecular Weight | 497.12 g/mol |
| LogP | 7.0784 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.11945 |
| Heavy Atoms | 32 |
| Complexity | 944.3207 |
Chemical Identifiers
| CAS Number | 445016-33-1 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl |
Product Overview
methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate (CAS 445016-33-1), with molecular formula C24H29Cl2NO4S and molecular weight 497.12 g/mol. IUPAC: methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Property Insights of methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
The XLogP value of 7.0784 indicates that methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]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 methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]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 methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The CAS number of methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is 445016-33-1.
What is the molecular formula of methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is C24H29Cl2NO4S.
What is the molecular weight of methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is 497.12 g/mol.
Where can I buy methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]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 methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]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.