N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide
TL;DR: N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide (CAS 299923-31-2) is a chemical compound with molecular formula C12H15N3O2S and molecular weight 265.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-methoxybenzoyl)amino]-3-prop-2-enylthiourea
Also Known As: N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide, 1-[(3-methoxybenzoyl)amino]-3-prop-2-enylthiourea, 3-methoxy-N-{[(prop-2-en-1-yl)carbamothioyl]amino}benzamide, 3-allyl-1-[(3-methoxybenzoyl)amino]isothiourea, Benzhydrazide, 3-methoxy-N2-(allylaminothiocarbonyl)-
| Molecular Formula | C12H15N3O2S |
|---|---|
| Molecular Weight | 265.09 g/mol |
| LogP | 0.9901 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.0885 |
| Heavy Atoms | 18 |
| Complexity | 448.70358 |
Chemical Identifiers
| CAS Number | 299923-31-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)NNC(=S)NCC=C |
Product Overview
N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide (CAS 299923-31-2), with molecular formula C12H15N3O2S and molecular weight 265.09 g/mol. IUPAC: 1-[(3-methoxybenzoyl)amino]-3-prop-2-enylthiourea.
Chemical Property Profile of N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide
Property Insights of N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide
The XLogP value of 0.9901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide has 3 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 N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide?
The CAS number of N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide is 299923-31-2.
What is the molecular formula of N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide?
The molecular formula of N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide is C12H15N3O2S.
What is the molecular weight of N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide?
The molecular weight of N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide is 265.09 g/mol.
Where can I buy N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide?
You can request a quote for N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-Allyl-2-(3-methoxybenzoyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.