![1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea structure](/static/products/3216/321689-93-4.webp)
1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea
TL;DR: 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea (CAS 321689-93-4) is a chemical compound with molecular formula C11H12BrN3OS and molecular weight 312.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-bromobenzoyl)amino]-3-prop-2-enylthiourea
Also Known As: 1-[(3-bromobenzoyl)amino]-3-prop-2-enylthiourea, N-allyl-2-(3-bromobenzoyl)hydrazinecarbothioamide, AE-848/33214013, (Z)-N-allyl-N'-(3-bromobenzoyl)carbamohydrazonothioic acid, N-Allyl-2-(3-bromobenzoyl)hydrazine-1-carbothioamide
| Molecular Formula | C11H12BrN3OS |
|---|---|
| Molecular Weight | 312.99 g/mol |
| LogP | 1.744 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.98846 |
| Heavy Atoms | 17 |
| Complexity | 436.47964 |
Chemical Identifiers
| CAS Number | 321689-93-4 |
|---|---|
| SMILES | C=CCNC(=S)NNC(=O)C1=CC(=CC=C1)Br |
Product Overview
1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea (CAS 321689-93-4), with molecular formula C11H12BrN3OS and molecular weight 312.99 g/mol. IUPAC: 1-[(3-bromobenzoyl)amino]-3-prop-2-enylthiourea.
Chemical Property Profile of 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea
Property Insights of 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea
The XLogP value of 1.744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea. With a topological polar surface area (TPSA) of 53.16 Ų, 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea has 3 hydrogen bond donor(s) and 2 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 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea?
The CAS number of 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea is 321689-93-4.
What is the molecular formula of 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea?
The molecular formula of 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea is C11H12BrN3OS.
What is the molecular weight of 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea?
The molecular weight of 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea is 312.99 g/mol.
Where can I buy 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea?
You can request a quote for 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Bromobenzoyl)amino]-3-prop-2-enylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.