3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde
TL;DR: 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde (CAS 719280-54-3) is a chemical compound with molecular formula C12H13NO2S2 and molecular weight 267.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-methoxybenzaldehyde
Also Known As: ZERO/004790, 4-methoxy-3-(1,3-thiazolin-2-ylthiomethyl)benzaldehyde, 3-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde, 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-methoxybenzaldehyde, 3-(((4,5-Dihydrothiazol-2-yl)thio)methyl)-4-methoxybenzaldehyde
| Molecular Formula | C12H13NO2S2 |
|---|---|
| Molecular Weight | 267.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.03876 |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 719280-54-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=O)CSC2=NCCS2 |
| InChIKey | ZNSNHTPJVSLMTC-UHFFFAOYSA-N |
Product Overview
3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde (CAS 719280-54-3), with molecular formula C12H13NO2S2 and molecular weight 267.04 g/mol. IUPAC: 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-methoxybenzaldehyde.
Chemical Property Profile of 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde
Property Insights of 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde. Following Lipinski's Rule of Five, 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)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-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde?
The CAS number of 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde is 719280-54-3.
What is the molecular formula of 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde?
The molecular formula of 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde is C12H13NO2S2.
What is the molecular weight of 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde?
The molecular weight of 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde is 267.04 g/mol.
Where can I buy 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde?
You can request a quote for 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)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-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.