![N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide structure](/static/products/891/891095-84-4.png)
N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide
TL;DR: N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide (CAS 891095-84-4) is a chemical compound with molecular formula C12H14N4O4S and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(4-nitrophenoxy)acetyl]amino]-3-prop-2-enylthiourea
Also Known As: 2-(4-nitrophenoxy)-N-{[(prop-2-en-1-yl)carbamothioyl]amino}acetamide, N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide, 1-[[2-(4-nitrophenoxy)acetyl]amino]-3-prop-2-enylthiourea, 1-allyl-3-[[2-(4-nitrophenoxy)acetyl]amino]thiourea, 1-[[2-(4-nitrophenoxy)acetyl]amino]-3-prop-2-enyl-thiourea
| Molecular Formula | C12H14N4O4S |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 0.6549 |
| Topological Polar Surface Area | 105.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.07358 |
| Heavy Atoms | 21 |
| Complexity | 532.5639 |
Chemical Identifiers
| CAS Number | 891095-84-4 |
|---|---|
| SMILES | C=CCNC(=S)NNC(=O)COC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide (CAS 891095-84-4), with molecular formula C12H14N4O4S and molecular weight 310.07 g/mol. IUPAC: 1-[[2-(4-nitrophenoxy)acetyl]amino]-3-prop-2-enylthiourea.
Chemical Property Profile of N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide
Property Insights of N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide
The XLogP value of 0.6549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide. The TPSA of 105.53 Ų falls within the moderate polarity range, balancing permeability and solubility for N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide. Following Lipinski's Rule of Five, N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide has 3 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 N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide?
The CAS number of N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide is 891095-84-4.
What is the molecular formula of N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide?
The molecular formula of N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide is C12H14N4O4S.
What is the molecular weight of N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide?
The molecular weight of N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide is 310.07 g/mol.
Where can I buy N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide?
You can request a quote for N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-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-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-2-[2-(4-nitrophenoxy)acetyl]-1-hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.