![3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde structure](/static/products/3270/327047-71-2.webp)
3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde
TL;DR: 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde (CAS 327047-71-2) is a chemical compound with molecular formula C16H13NO3S and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxybenzaldehyde
Also Known As: 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde, 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxybenzaldehyde, Benzaldehyde, 3-[(2-benzoxazolylthio)methyl]-4-methoxy-, 3-(benzooxazol-2-ylsulfanylmethyl)-4-methoxy-benzaldehyde, 3-amino-4-tert-butoxycarbonylaminobenzoic acid methyl ester
| Molecular Formula | C16H13NO3S |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 3.9412 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.0616 |
| Heavy Atoms | 21 |
| Complexity | 749.0431 |
Chemical Identifiers
| CAS Number | 327047-71-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=O)CSC2=NC3=CC=CC=C3O2 |
Product Overview
3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde (CAS 327047-71-2), with molecular formula C16H13NO3S and molecular weight 299.06 g/mol. IUPAC: 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxybenzaldehyde.
Chemical Property Profile of 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde
Property Insights of 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde
The XLogP value of 3.9412 indicates that 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde 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 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde?
The CAS number of 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde is 327047-71-2.
What is the molecular formula of 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde?
The molecular formula of 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde is C16H13NO3S.
What is the molecular weight of 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde?
The molecular weight of 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde is 299.06 g/mol.
Where can I buy 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde?
You can request a quote for 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1,3-Benzoxazol-2-ylthio)methyl]-4-methoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.