2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate
TL;DR: 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate (CAS 72109-12-7) is a chemical compound with molecular formula C22H16BrNO3 and molecular weight 421.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-3-phenyl-1-benzofuran-2-yl)methyl N-phenylcarbamate
Also Known As: 2-BENZOFURANMETHANOL, 5-BROMO-3-PHENYL-, CARBANILATE, 2-Hydroxymethyl-3-phenyl-5-bromobenzofuran phenylcarbamate, (5-bromo-3-phenyl-1-benzofuran-2-yl)methyl phenylcarbamate, (5-bromo-3-phenyl-1-benzofuran-2-yl)methyl N-phenylcarbamate, BRN 1402709
| Molecular Formula | C22H16BrNO3 |
|---|---|
| Molecular Weight | 421.03 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.03137 |
| Heavy Atoms | 27 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 72109-12-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)Br)COC(=O)NC4=CC=CC=C4 |
| InChIKey | ZSWYSDYXNLKXTC-UHFFFAOYSA-N |
Product Overview
2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate (CAS 72109-12-7), with molecular formula C22H16BrNO3 and molecular weight 421.03 g/mol. IUPAC: (5-bromo-3-phenyl-1-benzofuran-2-yl)methyl N-phenylcarbamate.
Chemical Property Profile of 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate
Property Insights of 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate
The XLogP value of 5.8 indicates that 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.5 Ų, 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate?
The CAS number of 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate is 72109-12-7.
What is the molecular formula of 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate?
The molecular formula of 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate is C22H16BrNO3.
What is the molecular weight of 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate?
The molecular weight of 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate is 421.03 g/mol.
Where can I buy 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate?
You can request a quote for 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.