炔草隆
TL;DR: 炔草隆 (CAS 3766-60-7) is a chemical compound with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
炔草隆
1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea
Also Known As: BUTURON, Eptapur, Butyron, Arisan, Buturon [BSI:ISO]
| Molecular Formula | C12H13ClN2O |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.07164 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 3766-60-7 |
|---|---|
| SMILES | CC(C#C)N(C)C(=O)NC1=CC=C(C=C1)Cl |
| InChIKey | BYYMILHAKOURNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
炔草隆 (CAS 3766-60-7), with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol. IUPAC: 1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea.
Chemical Property Profile of 炔草隆
Property Insights of 炔草隆
The XLogP value of 3.0 indicates that 炔草隆 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 炔草隆 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 炔草隆 has 1 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 炔草隆?
The CAS number of 炔草隆 is 3766-60-7.
What is the molecular formula of 炔草隆?
The molecular formula of 炔草隆 is C12H13ClN2O.
What is the molecular weight of 炔草隆?
The molecular weight of 炔草隆 is 236.07 g/mol.
Where can I buy 炔草隆?
You can request a quote for 炔草隆 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 炔草隆?
Yes, KEHONG BIO provides custom synthesis services for 炔草隆 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.