ChemDiv1_006090
TL;DR: ChemDiv1_006090 (CAS 297159-49-0) is a chemical compound with molecular formula C27H32N2O5S and molecular weight 496.20 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-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: ChemDiv1_006090, BIM-0047757.P001, A2358/0099573, ETHYL 2-(ADAMANTANE-1-AMIDO)-5-[(2-METHOXYPHENYL)CARBAMOYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-(adamantane-1-carbonylamino)-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
| Molecular Formula | C27H32N2O5S |
|---|---|
| Molecular Weight | 496.20 g/mol |
| LogP | 5.64902 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.2032 |
| Heavy Atoms | 35 |
| Complexity | 1135.0323 |
Chemical Identifiers
| CAS Number | 297159-49-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2OC)NC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
ChemDiv1_006090 (CAS 297159-49-0), with molecular formula C27H32N2O5S and molecular weight 496.20 g/mol. IUPAC: ethyl 2-(adamantane-1-carbonylamino)-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_006090
Property Insights of ChemDiv1_006090
The XLogP value of 5.64902 indicates that ChemDiv1_006090 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006090. Following Lipinski's Rule of Five, ChemDiv1_006090 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 ChemDiv1_006090?
The CAS number of ChemDiv1_006090 is 297159-49-0.
What is the molecular formula of ChemDiv1_006090?
The molecular formula of ChemDiv1_006090 is C27H32N2O5S.
What is the molecular weight of ChemDiv1_006090?
The molecular weight of ChemDiv1_006090 is 496.20 g/mol.
Where can I buy ChemDiv1_006090?
You can request a quote for ChemDiv1_006090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006090?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.