(Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid
TL;DR: (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid (CAS 306278-81-9) 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-[(4-bromobenzoyl)amino]-3-prop-2-enylthiourea
Also Known As: 1-[(4-bromobenzoyl)amino]-3-prop-2-enylthiourea, (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid, (4-allylthiosemicarbazido)(p-bromophenyl)methanone, Benzoic acid, 4-broMo-, 2-[(2-propen-1-ylaMino)thioxoMethyl]hydrazide, N-allyl-2-(4-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 | 419.22964 |
Chemical Identifiers
| CAS Number | 306278-81-9 |
|---|---|
| SMILES | C=CCNC(=S)NNC(=O)C1=CC=C(C=C1)Br |
Product Overview
(Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid (CAS 306278-81-9), with molecular formula C11H12BrN3OS and molecular weight 312.99 g/mol. IUPAC: 1-[(4-bromobenzoyl)amino]-3-prop-2-enylthiourea.
Chemical Property Profile of (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid
Property Insights of (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid
The XLogP value of 1.744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid. With a topological polar surface area (TPSA) of 53.16 Ų, (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid 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 (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid?
The CAS number of (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid is 306278-81-9.
What is the molecular formula of (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid?
The molecular formula of (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid is C11H12BrN3OS.
What is the molecular weight of (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid?
The molecular weight of (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid is 312.99 g/mol.
Where can I buy (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid?
You can request a quote for (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-allyl-2-(4-bromobenzoyl)hydrazinecarbimidothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.