A3335/0141642
TL;DR: A3335/0141642 (CAS 1005272-80-9) is a chemical compound with molecular formula C18H19BrO5 and molecular weight 394.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(4-bromobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
Also Known As: A3335/0141642, METHYL 6-(4-BROMOBENZOYL)-6-ETHYL-4,4-DIMETHYL-2-OXO-3-OXABICYCLO[3.1.0]HEXANE-1-CARBOXYLATE, methyl 6-(4-bromobenzoyl)-6-ethyl-2,2-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate, methyl 6-[(4-bromophenyl)carbonyl]-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
| Molecular Formula | C18H19BrO5 |
|---|---|
| Molecular Weight | 394.04 g/mol |
| LogP | 3.1528 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.0416 |
| Heavy Atoms | 24 |
| Complexity | 738.28094 |
Chemical Identifiers
| CAS Number | 1005272-80-9 |
|---|---|
| SMILES | CCC1(C2C1(C(=O)OC2(C)C)C(=O)OC)C(=O)C3=CC=C(C=C3)Br |
Product Overview
A3335/0141642 (CAS 1005272-80-9), with molecular formula C18H19BrO5 and molecular weight 394.04 g/mol. IUPAC: methyl 6-(4-bromobenzoyl)-6-ethyl-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate.
Chemical Property Profile of A3335/0141642
Property Insights of A3335/0141642
The XLogP value of 3.1528 indicates that A3335/0141642 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for A3335/0141642. Following Lipinski's Rule of Five, A3335/0141642 has 0 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 A3335/0141642?
The CAS number of A3335/0141642 is 1005272-80-9.
What is the molecular formula of A3335/0141642?
The molecular formula of A3335/0141642 is C18H19BrO5.
What is the molecular weight of A3335/0141642?
The molecular weight of A3335/0141642 is 394.04 g/mol.
Where can I buy A3335/0141642?
You can request a quote for A3335/0141642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3335/0141642?
Yes, KEHONG BIO provides custom synthesis services for A3335/0141642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.