Malon-monohydrazid
TL;DR: Malon-monohydrazid (CAS 5814-00-6) is a chemical compound with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylanilino)prop-2-enenitrile
Also Known As: Malon-monohydrazid, Hydrazinocarbonyl-acetic acid, (Z)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylanilino)prop-2-enenitrile
| Molecular Formula | C22H21N3O2S |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 5.42072 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.13544 |
| Heavy Atoms | 28 |
| Complexity | 1063.884 |
Chemical Identifiers
| CAS Number | 5814-00-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N/C=C(/C#N)\C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC)C |
Product Overview
Malon-monohydrazid (CAS 5814-00-6), with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol. IUPAC: (Z)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylanilino)prop-2-enenitrile.
Chemical Property Profile of Malon-monohydrazid
Property Insights of Malon-monohydrazid
The XLogP value of 5.42072 indicates that Malon-monohydrazid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Malon-monohydrazid. Following Lipinski's Rule of Five, Malon-monohydrazid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Malon-monohydrazid?
The CAS number of Malon-monohydrazid is 5814-00-6.
What is the molecular formula of Malon-monohydrazid?
The molecular formula of Malon-monohydrazid is C22H21N3O2S.
What is the molecular weight of Malon-monohydrazid?
The molecular weight of Malon-monohydrazid is 391.14 g/mol.
Where can I buy Malon-monohydrazid?
You can request a quote for Malon-monohydrazid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malon-monohydrazid?
Yes, KEHONG BIO provides custom synthesis services for Malon-monohydrazid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.