AS-871/42289990
TL;DR: AS-871/42289990 (CAS 1005116-75-5) is a chemical compound with molecular formula C14H19Cl3O4 and molecular weight 356.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,7,7-trimethyl-3-(2,2,2-trichloroacetyl)oxybicyclo[2.2.1]heptane-1-carboxylate
Also Known As: AS-871/42289990, methyl 4,7,7-trimethyl-3-[(trichloroacetyl)oxy]bicyclo[2.2.1]heptane-1-carboxylate, 4-(methoxycarbonyl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2,2,2-trichloroacet ate, methyl 1,7,7-trimethyl-2-(2,2,2-trichloroacetyl)oxybicyclo[2.2.1]heptane-4-carboxylate, methyl 4,7,7-trimethyl-3-(2,2,2-trichloroacetyl)oxybicyclo[2.2.1]heptane-1-carboxylate
| Molecular Formula | C14H19Cl3O4 |
|---|---|
| Molecular Weight | 356.03 g/mol |
| LogP | 3.6578 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.03488 |
| Heavy Atoms | 21 |
| Complexity | 485.101 |
Chemical Identifiers
| CAS Number | 1005116-75-5 |
|---|---|
| SMILES | CC1(C2(CCC1(CC2OC(=O)C(Cl)(Cl)Cl)C(=O)OC)C)C |
Product Overview
AS-871/42289990 (CAS 1005116-75-5), with molecular formula C14H19Cl3O4 and molecular weight 356.03 g/mol. IUPAC: methyl 4,7,7-trimethyl-3-(2,2,2-trichloroacetyl)oxybicyclo[2.2.1]heptane-1-carboxylate.
Chemical Property Profile of AS-871/42289990
Property Insights of AS-871/42289990
The XLogP value of 3.6578 indicates that AS-871/42289990 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, AS-871/42289990 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AS-871/42289990 has 0 hydrogen bond donor(s) and 4 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 AS-871/42289990?
The CAS number of AS-871/42289990 is 1005116-75-5.
What is the molecular formula of AS-871/42289990?
The molecular formula of AS-871/42289990 is C14H19Cl3O4.
What is the molecular weight of AS-871/42289990?
The molecular weight of AS-871/42289990 is 356.03 g/mol.
Where can I buy AS-871/42289990?
You can request a quote for AS-871/42289990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42289990?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42289990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.