RefChem:1086978
TL;DR: RefChem:1086978 (CAS 126281-57-0) is a chemical compound with molecular formula C13H20ClN5S and molecular weight 313.11 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-(4-methylphenyl)thiourea;hydrochloride
Also Known As: Hydrazinecarboximidamide, N-(aminothioxomethyl)-N-(4-methylphenyl)-2-(1-methylpropylidene)-, monohydrochloride, 1-[N-(butan-2-ylideneamino)carbamimidoyl]-1-(4-methylphenyl)thiourea hydrochloride, 1-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl]-1-(4-methylphenyl)thiourea, 1-[N'-(butan-2-ylideneamino)carbamimidoyl]-1-(4-methylphenyl)thiourea Hydrochloride, RefChem:1086978
| Molecular Formula | C13H20ClN5S |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 2.56742 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.1128 |
| Heavy Atoms | 20 |
| Complexity | 509.99774 |
Chemical Identifiers
| CAS Number | 126281-57-0 |
|---|---|
| SMILES | CC/C(=N/N=C(\N)/N(C1=CC=C(C=C1)C)C(=S)N)/C.Cl |
Product Overview
RefChem:1086978 (CAS 126281-57-0), with molecular formula C13H20ClN5S and molecular weight 313.11 g/mol. IUPAC: 1-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl]-1-(4-methylphenyl)thiourea;hydrochloride.
Chemical Property Profile of RefChem:1086978
Property Insights of RefChem:1086978
The XLogP value of 2.56742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086978. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1086978. Following Lipinski's Rule of Five, RefChem:1086978 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:1086978?
The CAS number of RefChem:1086978 is 126281-57-0.
What is the molecular formula of RefChem:1086978?
The molecular formula of RefChem:1086978 is C13H20ClN5S.
What is the molecular weight of RefChem:1086978?
The molecular weight of RefChem:1086978 is 313.11 g/mol.
Where can I buy RefChem:1086978?
You can request a quote for RefChem:1086978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086978?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.