3-甲基-2-(2-氯乙基)脲基苄醇
TL;DR: 3-甲基-2-(2-氯乙基)脲基苄醇 (CAS 100427-77-8) is a chemical compound with molecular formula C11H15ClN2O2 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-2-(2-氯乙基)脲基苄醇
1-(2-chloroethyl)-3-[2-(hydroxymethyl)-6-methylphenyl]urea
Also Known As: BENZYL ALCOHOL, 3-METHYL-2-(2-CHLOROETHYL)UREIDO-, Urea, 1-(2-chloroethyl)-3-(2-hydroxymethyl-o-tolyl)-, 1-(2-Chloroethyl)-3-(2-hydroxymethyl-6-methylphenyl)urea, 1-(2-chloroethyl)-3-[2-(hydroxymethyl)-6-methylphenyl]urea, 2-[3-(2-Chloroethyl)ureido]-3-methylbenzyl alcohol
| Molecular Formula | C11H15ClN2O2 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.0822 |
| Heavy Atoms | 16 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 100427-77-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)CO)NC(=O)NCCCl |
| InChIKey | LJWISXRVXBWEAU-UHFFFAOYSA-N |
Product Overview
3-甲基-2-(2-氯乙基)脲基苄醇 (CAS 100427-77-8), with molecular formula C11H15ClN2O2 and molecular weight 242.08 g/mol. IUPAC: 1-(2-chloroethyl)-3-[2-(hydroxymethyl)-6-methylphenyl]urea.
Chemical Property Profile of 3-甲基-2-(2-氯乙基)脲基苄醇
Property Insights of 3-甲基-2-(2-氯乙基)脲基苄醇
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-2-(2-氯乙基)脲基苄醇. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-甲基-2-(2-氯乙基)脲基苄醇. Following Lipinski's Rule of Five, 3-甲基-2-(2-氯乙基)脲基苄醇 has 3 hydrogen bond donor(s) and 2 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 3-甲基-2-(2-氯乙基)脲基苄醇?
The CAS number of 3-甲基-2-(2-氯乙基)脲基苄醇 is 100427-77-8.
What is the molecular formula of 3-甲基-2-(2-氯乙基)脲基苄醇?
The molecular formula of 3-甲基-2-(2-氯乙基)脲基苄醇 is C11H15ClN2O2.
What is the molecular weight of 3-甲基-2-(2-氯乙基)脲基苄醇?
The molecular weight of 3-甲基-2-(2-氯乙基)脲基苄醇 is 242.08 g/mol.
Where can I buy 3-甲基-2-(2-氯乙基)脲基苄醇?
You can request a quote for 3-甲基-2-(2-氯乙基)脲基苄醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-2-(2-氯乙基)脲基苄醇?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-2-(2-氯乙基)脲基苄醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.