![4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide structure](/static/products/443/443636-63-3.png)
4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide
TL;DR: 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide (CAS 443636-63-3) is a chemical compound with molecular formula C13H19ClN4OS and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorobenzoyl)amino]-3-[3-(dimethylamino)propyl]thiourea
Also Known As: 3-[(4-chlorobenzoyl)amino]-1-(3-dimethylaminopropyl)thiourea, 1-[(4-chlorobenzoyl)amino]-3-[3-(dimethylamino)propyl]thiourea, 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide, 2-(4-Chlorobenzoyl)-N-[3-(dimethylamino)propyl]hydrazine-1-carbothioamide
| Molecular Formula | C13H19ClN4OS |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | 1.4006 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.0968 |
| Heavy Atoms | 20 |
| Complexity | 450.1893 |
Chemical Identifiers
| CAS Number | 443636-63-3 |
|---|---|
| SMILES | CN(C)CCCNC(=S)NNC(=O)C1=CC=C(C=C1)Cl |
Product Overview
4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide (CAS 443636-63-3), with molecular formula C13H19ClN4OS and molecular weight 314.10 g/mol. IUPAC: 1-[(4-chlorobenzoyl)amino]-3-[3-(dimethylamino)propyl]thiourea.
Chemical Property Profile of 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide
Property Insights of 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide
The XLogP value of 1.4006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide. With a topological polar surface area (TPSA) of 56.4 Ų, 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide 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 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide?
The CAS number of 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide is 443636-63-3.
What is the molecular formula of 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide?
The molecular formula of 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide is C13H19ClN4OS.
What is the molecular weight of 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide?
The molecular weight of 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide is 314.10 g/mol.
Where can I buy 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide?
You can request a quote for 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzoic acid 2-[[[3-(dimethylamino)propyl]amino]thioxomethyl]hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.