ChemDiv1_005727
TL;DR: ChemDiv1_005727 (CAS 297157-99-4) is a chemical compound with molecular formula C28H34N2O6S and molecular weight 526.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(adamantane-1-carbonylamino)-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: ChemDiv1_005727, A2298/0096857, ETHYL 2-(ADAMANTANE-1-AMIDO)-5-[(2,4-DIMETHOXYPHENYL)CARBAMOYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-(adamantane-1-carbonylamino)-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate, ethyl 2-[(1-adamantylcarbonyl)amino]-5-[(2,4-dimethoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate
| Molecular Formula | C28H34N2O6S |
|---|---|
| Molecular Weight | 526.21 g/mol |
| LogP | 5.65762 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 526.21375 |
| Heavy Atoms | 37 |
| Complexity | 1200.2167 |
Chemical Identifiers
| CAS Number | 297157-99-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=C(C=C2)OC)OC)NC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
ChemDiv1_005727 (CAS 297157-99-4), with molecular formula C28H34N2O6S and molecular weight 526.21 g/mol. IUPAC: ethyl 2-(adamantane-1-carbonylamino)-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_005727
Property Insights of ChemDiv1_005727
The XLogP value of 5.65762 indicates that ChemDiv1_005727 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005727. Following Lipinski's Rule of Five, ChemDiv1_005727 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 ChemDiv1_005727?
The CAS number of ChemDiv1_005727 is 297157-99-4.
What is the molecular formula of ChemDiv1_005727?
The molecular formula of ChemDiv1_005727 is C28H34N2O6S.
What is the molecular weight of ChemDiv1_005727?
The molecular weight of ChemDiv1_005727 is 526.21 g/mol.
Where can I buy ChemDiv1_005727?
You can request a quote for ChemDiv1_005727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005727?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.