4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone
TL;DR: 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone (CAS 804516-01-6) is a chemical compound with molecular formula C15H21N3O2S and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-prop-2-enylthiourea
Also Known As: 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone, 1-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-prop-2-enylthiourea
| Molecular Formula | C15H21N3O2S |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 2.4664 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.13544 |
| Heavy Atoms | 21 |
| Complexity | 515.64026 |
Chemical Identifiers
| CAS Number | 804516-01-6 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)/C=N/NC(=S)NCC=C)OC |
Product Overview
4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone (CAS 804516-01-6), with molecular formula C15H21N3O2S and molecular weight 307.14 g/mol. IUPAC: 1-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-prop-2-enylthiourea.
Chemical Property Profile of 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone
Property Insights of 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone
The XLogP value of 2.4664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone. With a topological polar surface area (TPSA) of 54.88 Ų, 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone has 2 hydrogen bond donor(s) and 4 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 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone?
The CAS number of 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone is 804516-01-6.
What is the molecular formula of 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone?
The molecular formula of 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone is C15H21N3O2S.
What is the molecular weight of 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone?
The molecular weight of 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone is 307.14 g/mol.
Where can I buy 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone?
You can request a quote for 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 4-isopropoxy-3-methoxybenzaldehyde N-allylthiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.