![methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate structure](/static/products/369/369403-20-3.png)
methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
TL;DR: methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate (CAS 369403-20-3) is a chemical compound with molecular formula C23H30N2O3S3 and molecular weight 478.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-thiophen-2-ylacetyl)carbamothioylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Also Known As: methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, methyl 2-[(2-thiophen-2-ylacetyl)carbamothioylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, methyl 2-{[(thiophen-2-ylacetyl)carbamothioyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
| Molecular Formula | C23H30N2O3S3 |
|---|---|
| Molecular Weight | 478.14 g/mol |
| LogP | 5.8713 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.14185 |
| Heavy Atoms | 31 |
| Complexity | 890.2689 |
Chemical Identifiers
| CAS Number | 369403-20-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=S)NC(=O)CC3=CC=CS3 |
Product Overview
methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate (CAS 369403-20-3), with molecular formula C23H30N2O3S3 and molecular weight 478.14 g/mol. IUPAC: methyl 2-[(2-thiophen-2-ylacetyl)carbamothioylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Property Insights of methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
The XLogP value of 5.8713 indicates that methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-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 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 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-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The CAS number of methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is 369403-20-3.
What is the molecular formula of methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is C23H30N2O3S3.
What is the molecular weight of methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is 478.14 g/mol.
Where can I buy methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-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-(3-(2-(thiophen-2-yl)acetyl)thioureido)-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-(3-(2-(thiophen-2-yl)acetyl)thioureido)-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.