![1-[4,4-dimethyl-2- pentyl]-3- urea structure](/static/products/1451/145131-40-4.webp)
1-[4,4-dimethyl-2- pentyl]-3- urea
TL;DR: 1-[4,4-dimethyl-2- pentyl]-3- urea (CAS 145131-40-4) is a chemical compound with molecular formula C29H41N3O and molecular weight 447.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4,4-dimethyl-2-(1-methylindol-3-yl)pentyl]-3-[2,6-di(propan-2-yl)phenyl]urea
Also Known As: 1-[4,4-dimethyl-2- pentyl]-3- urea, N-(2,6-Bis(1-methylethyl)phenyl)-N'-(4,4-dimethyl-2-(1-methyl-1H-indol-3-yl)pentyl)urea, N(sup 1)-(2,6-Diisopropylphenyl)-N(sup 2)-(4,4-dimethyl-2-(1-methyl-3-indolyl)pentyl)urea, Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(4,4-dimethyl-2-(1-methyl-1H-indol-3-yl)pentyl)-, 1-[4,4-dimethyl-2-(1-methylindol-3-yl)pentyl]-3-[2,6-di(propan-2-yl)phenyl]urea
| Molecular Formula | C29H41N3O |
|---|---|
| Molecular Weight | 447.32 g/mol |
| LogP | 7.7666 |
| Topological Polar Surface Area | 46.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.32495 |
| Heavy Atoms | 33 |
| Complexity | 1075.4928 |
Chemical Identifiers
| CAS Number | 145131-40-4 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(CC(C)(C)C)C2=CN(C3=CC=CC=C32)C |
Product Overview
1-[4,4-dimethyl-2- pentyl]-3- urea (CAS 145131-40-4), with molecular formula C29H41N3O and molecular weight 447.32 g/mol. IUPAC: 1-[4,4-dimethyl-2-(1-methylindol-3-yl)pentyl]-3-[2,6-di(propan-2-yl)phenyl]urea.
Chemical Property Profile of 1-[4,4-dimethyl-2- pentyl]-3- urea
Property Insights of 1-[4,4-dimethyl-2- pentyl]-3- urea
The XLogP value of 7.7666 indicates that 1-[4,4-dimethyl-2- pentyl]-3- urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.06 Ų, 1-[4,4-dimethyl-2- pentyl]-3- urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4,4-dimethyl-2- pentyl]-3- urea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[4,4-dimethyl-2- pentyl]-3- urea?
The CAS number of 1-[4,4-dimethyl-2- pentyl]-3- urea is 145131-40-4.
What is the molecular formula of 1-[4,4-dimethyl-2- pentyl]-3- urea?
The molecular formula of 1-[4,4-dimethyl-2- pentyl]-3- urea is C29H41N3O.
What is the molecular weight of 1-[4,4-dimethyl-2- pentyl]-3- urea?
The molecular weight of 1-[4,4-dimethyl-2- pentyl]-3- urea is 447.32 g/mol.
Where can I buy 1-[4,4-dimethyl-2- pentyl]-3- urea?
You can request a quote for 1-[4,4-dimethyl-2- pentyl]-3- urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4,4-dimethyl-2- pentyl]-3- urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[4,4-dimethyl-2- pentyl]-3- urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.