![propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate structure](/static/products/4449/444930-32-9.webp)
propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
TL;DR: propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate (CAS 444930-32-9) is a chemical compound with molecular formula C22H30N2O4S and molecular weight 418.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
Also Known As: propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate, isopropyl 2-[(1-adamantylacetyl)amino]-5-(aminocarbonyl)-4-methyl-3-thiophenecarboxylate, methylethyl 2-(2-adamantanylacetylamino)-5-carbamoyl-4-methylthiophene-3-carbo xylate, propan-2-yl 5-carbamoyl-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylacetyl)amino]thiophene-3-carboxylate
| Molecular Formula | C22H30N2O4S |
|---|---|
| Molecular Weight | 418.19 g/mol |
| LogP | 4.26562 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.19263 |
| Heavy Atoms | 29 |
| Complexity | 821.95465 |
Chemical Identifiers
| CAS Number | 444930-32-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)N |
Product Overview
propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate (CAS 444930-32-9), with molecular formula C22H30N2O4S and molecular weight 418.19 g/mol. IUPAC: propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate.
Chemical Property Profile of propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
Property Insights of propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
The XLogP value of 4.26562 indicates that propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.49 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate?
The CAS number of propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate is 444930-32-9.
What is the molecular formula of propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate?
The molecular formula of propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate is C22H30N2O4S.
What is the molecular weight of propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate?
The molecular weight of propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate is 418.19 g/mol.
Where can I buy propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate?
You can request a quote for propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.