DI-Sec-butylurea
TL;DR: DI-Sec-butylurea (CAS 869-79-4) is a chemical compound with molecular formula C9H20N2O and molecular weight 172.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-di(butan-2-yl)urea
Also Known As: DI-SEC-BUTYLUREA, 1,3-di-sec-butylurea, 1,1-Di-sec-butylurea, N,N-Bis(sec-butyl)urea, 1,3-bis(butan-2-yl)urea
| Molecular Formula | C9H20N2O |
|---|---|
| Molecular Weight | 172.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.15756 |
| Heavy Atoms | 12 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 869-79-4 |
|---|---|
| SMILES | CCC(C)NC(=O)NC(C)CC |
| InChIKey | JPGVZLCARNPQQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DI-Sec-butylurea (CAS 869-79-4), with molecular formula C9H20N2O and molecular weight 172.16 g/mol. IUPAC: 1,3-di(butan-2-yl)urea.
Chemical Property Profile of DI-Sec-butylurea
Property Insights of DI-Sec-butylurea
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DI-Sec-butylurea. With a topological polar surface area (TPSA) of 41.1 Ų, DI-Sec-butylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DI-Sec-butylurea 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 DI-Sec-butylurea?
The CAS number of DI-Sec-butylurea is 869-79-4.
What is the molecular formula of DI-Sec-butylurea?
The molecular formula of DI-Sec-butylurea is C9H20N2O.
What is the molecular weight of DI-Sec-butylurea?
The molecular weight of DI-Sec-butylurea is 172.16 g/mol.
Where can I buy DI-Sec-butylurea?
You can request a quote for DI-Sec-butylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DI-Sec-butylurea?
Yes, KEHONG BIO provides custom synthesis services for DI-Sec-butylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.