![methyl 2-(3-isonicotinoylthioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate structure](/static/products/370/370574-57-5.png)
methyl 2-(3-isonicotinoylthioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
TL;DR: methyl 2-(3-isonicotinoylthioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate (CAS 370574-57-5) is a chemical compound with molecular formula C23H29N3O3S2 and molecular weight 459.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(pyridine-4-carbonylcarbamothioylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Also Known As: methyl 2-(3-isonicotinoylthioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, methyl 2-(pyridine-4-carbonylcarbamothioylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, methyl 2-{[(pyridin-4-ylcarbonyl)carbamothioyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
| Molecular Formula | C23H29N3O3S2 |
|---|---|
| Molecular Weight | 459.17 g/mol |
| LogP | 5.2759 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.16504 |
| Heavy Atoms | 31 |
| Complexity | 912.2906 |
Chemical Identifiers
| CAS Number | 370574-57-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=S)NC(=O)C3=CC=NC=C3 |
Product Overview
methyl 2-(3-isonicotinoylthioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate (CAS 370574-57-5), with molecular formula C23H29N3O3S2 and molecular weight 459.17 g/mol. IUPAC: methyl 2-(pyridine-4-carbonylcarbamothioylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(3-isonicotinoylthioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Property Insights of methyl 2-(3-isonicotinoylthioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
The XLogP value of 5.2759 indicates that methyl 2-(3-isonicotinoylthioureido)-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 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-isonicotinoylthioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(3-isonicotinoylthioureido)-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-isonicotinoylthioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The CAS number of methyl 2-(3-isonicotinoylthioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is 370574-57-5.
What is the molecular formula of methyl 2-(3-isonicotinoylthioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-(3-isonicotinoylthioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is C23H29N3O3S2.
What is the molecular weight of methyl 2-(3-isonicotinoylthioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-(3-isonicotinoylthioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is 459.17 g/mol.
Where can I buy methyl 2-(3-isonicotinoylthioureido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-(3-isonicotinoylthioureido)-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-isonicotinoylthioureido)-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-isonicotinoylthioureido)-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.