CID 107399
TL;DR: CID 107399 (CAS 3510-99-4) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methoxybut-2-enoate
Also Known As: ethyl 3-methoxybut-2-enoate, Ethyl 3-methoxy-2-butenoate, 3-methoxy-2-Butenoic acid, ethyl ester, 2-Butenoic acid,3-methoxy-, ethyl ester, 2-Butenoic acid, 3-methoxy-, ethyl ester, (2Z)-
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 3510-99-4 |
|---|---|
| SMILES | CCOC(=O)C=C(C)OC |
| InChIKey | LAPXQIPANPGXCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CID 107399 (CAS 3510-99-4), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: ethyl 3-methoxybut-2-enoate.
Chemical Property Profile of CID 107399
Property Insights of CID 107399
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 107399. With a topological polar surface area (TPSA) of 35.5 Ų, CID 107399 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 107399 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 CID 107399?
The CAS number of CID 107399 is 3510-99-4.
What is the molecular formula of CID 107399?
The molecular formula of CID 107399 is C7H12O3.
What is the molecular weight of CID 107399?
The molecular weight of CID 107399 is 144.08 g/mol.
Where can I buy CID 107399?
You can request a quote for CID 107399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 107399?
Yes, KEHONG BIO provides custom synthesis services for CID 107399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.