N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid
TL;DR: N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid (CAS 102433-55-6) is a chemical compound with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)urea
Also Known As: 1-(2-Chloroethyl)-3-(3-methyl-4-indanyl)urea, Urea, 1-(2-chloroethyl)-3-(3-methyl-4-indanyl)-, 1-(2-Chloroethyl)-3-(3-methylindan-4-yl)urea, N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid, 1-(2-chloroethyl)-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)urea
| Molecular Formula | C13H17ClN2O |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.10294 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 102433-55-6 |
|---|---|
| SMILES | CC1CCC2=C1C(=CC=C2)NC(=O)NCCCl |
| InChIKey | FATMBAKSRGVTJA-UHFFFAOYSA-N |
Product Overview
N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid (CAS 102433-55-6), with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol. IUPAC: 1-(2-chloroethyl)-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)urea.
Chemical Property Profile of N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid
Property Insights of N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid. With a topological polar surface area (TPSA) of 41.1 Ų, N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid has 2 hydrogen bond donor(s) and 1 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 N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid?
The CAS number of N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid is 102433-55-6.
What is the molecular formula of N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid?
The molecular formula of N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid is C13H17ClN2O.
What is the molecular weight of N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid?
The molecular weight of N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid is 252.10 g/mol.
Where can I buy N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid?
You can request a quote for N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N'-(2-Chloroethyl)-N-(3-methyl-2,3-dihydro-1H-inden-4-yl)carbamimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.