RefChem:1086971
TL;DR: RefChem:1086971 (CAS 126301-93-7) is a chemical compound with molecular formula C12H18ClN5S and molecular weight 299.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl]-1-phenylthiourea;hydrochloride
Also Known As: Hydrazinecarboximidamide, N-(aminothioxomethyl)-2-(1-methylpropylidene)-N-phenyl-, monohydrochloride, N-(Aminothioxomethyl)-2-(1-methylpropylidene)-N-phenylhydrazinecarboximidamide HCl, RefChem:1086971
| Molecular Formula | C12H18ClN5S |
|---|---|
| Molecular Weight | 299.10 g/mol |
| LogP | 2.259 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.09714 |
| Heavy Atoms | 19 |
| Complexity | 472.2679 |
Chemical Identifiers
| CAS Number | 126301-93-7 |
|---|---|
| SMILES | CC/C(=N/N=C(\N)/N(C1=CC=CC=C1)C(=S)N)/C.Cl |
Product Overview
RefChem:1086971 (CAS 126301-93-7), with molecular formula C12H18ClN5S and molecular weight 299.10 g/mol. IUPAC: 1-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl]-1-phenylthiourea;hydrochloride.
Chemical Property Profile of RefChem:1086971
Property Insights of RefChem:1086971
The XLogP value of 2.259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086971. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1086971. Following Lipinski's Rule of Five, RefChem:1086971 has 2 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 RefChem:1086971?
The CAS number of RefChem:1086971 is 126301-93-7.
What is the molecular formula of RefChem:1086971?
The molecular formula of RefChem:1086971 is C12H18ClN5S.
What is the molecular weight of RefChem:1086971?
The molecular weight of RefChem:1086971 is 299.10 g/mol.
Where can I buy RefChem:1086971?
You can request a quote for RefChem:1086971 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086971?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086971 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.