CID 71941
TL;DR: CID 71941 (CAS 92864-98-7) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-butoxy-3-methoxyphenyl)prop-2-enoic acid
Also Known As: 3-(4-butoxy-3-methoxyphenyl)prop-2-enoic acid, 3-(4-butoxy-3-methoxyphenyl)acrylic acid, (2E)-3-(4-butoxy-3-methoxyphenyl)acrylic acid, 3-(4-butoxy-3-methoxy-phenyl)prop-2-enoic Acid
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 92864-98-7 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C=CC(=O)O)OC |
| InChIKey | PLGNEGWMEJBADZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CID 71941 (CAS 92864-98-7), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 3-(4-butoxy-3-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of CID 71941
Property Insights of CID 71941
The XLogP value of 3.1 indicates that CID 71941 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, CID 71941 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 71941 has 1 hydrogen bond donor(s) and 4 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 71941?
The CAS number of CID 71941 is 92864-98-7.
What is the molecular formula of CID 71941?
The molecular formula of CID 71941 is C14H18O4.
What is the molecular weight of CID 71941?
The molecular weight of CID 71941 is 250.12 g/mol.
Where can I buy CID 71941?
You can request a quote for CID 71941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 71941?
Yes, KEHONG BIO provides custom synthesis services for CID 71941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.