Ro 03-6037
TL;DR: Ro 03-6037 (CAS 87979-81-5) is a chemical compound with molecular formula C16H18O3 and molecular weight 258.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(4-but-3-yn-2-yloxyphenyl)but-2-enoate
Also Known As: Ro 03-6037, Ro-03-6037, ethyl (E)-3-(4-but-3-yn-2-yloxyphenyl)but-2-enoate, Ethyl-beta-methyl-4-(1-methyl-2-propynyloxy)cinnamate, 2-Butenoic acid, 3-(4-((1-methyl-2-propynyl)oxy)phenyl)-, ethyl ester, (E)-
| Molecular Formula | C16H18O3 |
|---|---|
| Molecular Weight | 258.13 g/mol |
| LogP | 3.0535 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.12558 |
| Heavy Atoms | 19 |
| Complexity | 491.7205 |
Chemical Identifiers
| CAS Number | 87979-81-5 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/C1=CC=C(C=C1)OC(C)C#C |
Product Overview
Ro 03-6037 (CAS 87979-81-5), with molecular formula C16H18O3 and molecular weight 258.13 g/mol. IUPAC: ethyl (E)-3-(4-but-3-yn-2-yloxyphenyl)but-2-enoate.
Chemical Property Profile of Ro 03-6037
Property Insights of Ro 03-6037
The XLogP value of 3.0535 indicates that Ro 03-6037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Ro 03-6037 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 03-6037 has 0 hydrogen bond donor(s) and 3 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 Ro 03-6037?
The CAS number of Ro 03-6037 is 87979-81-5.
What is the molecular formula of Ro 03-6037?
The molecular formula of Ro 03-6037 is C16H18O3.
What is the molecular weight of Ro 03-6037?
The molecular weight of Ro 03-6037 is 258.13 g/mol.
Where can I buy Ro 03-6037?
You can request a quote for Ro 03-6037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 03-6037?
Yes, KEHONG BIO provides custom synthesis services for Ro 03-6037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.