AE-641/42119449
TL;DR: AE-641/42119449 (CAS 670258-49-8) is a chemical compound with molecular formula C22H23NO6S2 and molecular weight 461.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[cyclohexanecarbonyl(thiophen-2-ylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate
Also Known As: AE-641/42119449, methyl 5-[(cyclohexylcarbonyl)(2-thienylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate, methyl 5-[cyclohexanecarbonyl(thiophen-2-ylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate, METHYL 2-METHYL-5-[N-(THIOPHENE-2-SULFONYL)CYCLOHEXANEAMIDO]-1-BENZOFURAN-3-CARBOXYLATE
| Molecular Formula | C22H23NO6S2 |
|---|---|
| Molecular Weight | 461.10 g/mol |
| LogP | 4.89152 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.09668 |
| Heavy Atoms | 31 |
| Complexity | 1220.4149 |
Chemical Identifiers
| CAS Number | 670258-49-8 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC=CS4)C(=O)OC |
Product Overview
AE-641/42119449 (CAS 670258-49-8), with molecular formula C22H23NO6S2 and molecular weight 461.10 g/mol. IUPAC: methyl 5-[cyclohexanecarbonyl(thiophen-2-ylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of AE-641/42119449
Property Insights of AE-641/42119449
The XLogP value of 4.89152 indicates that AE-641/42119449 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/42119449. Following Lipinski's Rule of Five, AE-641/42119449 has 0 hydrogen bond donor(s) and 7 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 AE-641/42119449?
The CAS number of AE-641/42119449 is 670258-49-8.
What is the molecular formula of AE-641/42119449?
The molecular formula of AE-641/42119449 is C22H23NO6S2.
What is the molecular weight of AE-641/42119449?
The molecular weight of AE-641/42119449 is 461.10 g/mol.
Where can I buy AE-641/42119449?
You can request a quote for AE-641/42119449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/42119449?
Yes, KEHONG BIO provides custom synthesis services for AE-641/42119449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.