![(E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate structure](/static/products/370/370574-78-0.png)
(E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
TL;DR: (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate (CAS 370574-78-0) is a chemical compound with molecular formula C28H36N2O5S2 and molecular weight 544.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Also Known As: (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, methyl 2-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, methyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
| Molecular Formula | C28H36N2O5S2 |
|---|---|
| Molecular Weight | 544.21 g/mol |
| LogP | 6.2977 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.20654 |
| Heavy Atoms | 37 |
| Complexity | 1126.0161 |
Chemical Identifiers
| CAS Number | 370574-78-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCCCCCC3)C(=O)OC)OC |
Product Overview
(E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate (CAS 370574-78-0), with molecular formula C28H36N2O5S2 and molecular weight 544.21 g/mol. IUPAC: methyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate.
Chemical Property Profile of (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Property Insights of (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
The XLogP value of 6.2977 indicates that (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)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 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The CAS number of (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is 370574-78-0.
What is the molecular formula of (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The molecular formula of (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is C28H36N2O5S2.
What is the molecular weight of (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The molecular weight of (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is 544.21 g/mol.
Where can I buy (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
You can request a quote for (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)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 (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)thioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)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.