Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate
TL;DR: Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate (CAS 7468-29-3) is a chemical compound with molecular formula C18H19BrO3 and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate
Also Known As: methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate, BENZENEPROPANOIC ACID, B-(BROMOMETHYL)-B-METHOXY-A-PHENYL-, METHYL ESTER
| Molecular Formula | C18H19BrO3 |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.05176 |
| Heavy Atoms | 22 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 7468-29-3 |
|---|---|
| SMILES | COC(=O)C(C1=CC=CC=C1)C(CBr)(C2=CC=CC=C2)OC |
| InChIKey | MRFSAIICLWMCNZ-UHFFFAOYSA-N |
Product Overview
Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate (CAS 7468-29-3), with molecular formula C18H19BrO3 and molecular weight 362.05 g/mol. IUPAC: methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate.
Chemical Property Profile of Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate
Property Insights of Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate
The XLogP value of 3.7 indicates that Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate has 0 hydrogen bond donor(s) and 3 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 Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate?
The CAS number of Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate is 7468-29-3.
What is the molecular formula of Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate?
The molecular formula of Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate is C18H19BrO3.
What is the molecular weight of Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate?
The molecular weight of Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate is 362.05 g/mol.
Where can I buy Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate?
You can request a quote for Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-bromo-3-methoxy-2,3-diphenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.