RefChem:387951
TL;DR: RefChem:387951 (CAS 68656-98-4) is a chemical compound with molecular formula C11H17ClN4O2 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(hydroxymethyl)-6-methylphenyl]-3-(N'-methylcarbamimidoyl)urea;hydrochloride
Also Known As: Urea, 1-(2-(hydroxymethyl)-6-methylphenyl)-3-methylamidino-, hydrochlroide, Urea, N-(2-(hydroxymethyl)-6-methylphenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride, N-(2-(Hydroxymethyl)-6-methylphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride, 1-[2-(hydroxymethyl)-6-methylphenyl]-3-(N'-methylcarbamimidoyl)urea hydrochloride, N-[2-(Hydroxymethyl)-6-methylphenyl]-N'-(N'-methylcarbamimidoyl)urea--hydrogen chloride (1/1)
| Molecular Formula | C11H17ClN4O2 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 0.97512 |
| Topological Polar Surface Area | 99.74 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.104 |
| Heavy Atoms | 18 |
| Complexity | 448.6694 |
Chemical Identifiers
| CAS Number | 68656-98-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)CO)NC(=O)NC(=NC)N.Cl |
Product Overview
RefChem:387951 (CAS 68656-98-4), with molecular formula C11H17ClN4O2 and molecular weight 272.10 g/mol. IUPAC: 1-[2-(hydroxymethyl)-6-methylphenyl]-3-(N'-methylcarbamimidoyl)urea;hydrochloride.
Chemical Property Profile of RefChem:387951
Property Insights of RefChem:387951
The XLogP value of 0.97512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:387951. The TPSA of 99.74 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:387951. Following Lipinski's Rule of Five, RefChem:387951 has 4 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:387951?
The CAS number of RefChem:387951 is 68656-98-4.
What is the molecular formula of RefChem:387951?
The molecular formula of RefChem:387951 is C11H17ClN4O2.
What is the molecular weight of RefChem:387951?
The molecular weight of RefChem:387951 is 272.10 g/mol.
Where can I buy RefChem:387951?
You can request a quote for RefChem:387951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:387951?
Yes, KEHONG BIO provides custom synthesis services for RefChem:387951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.