A3149/0133136
TL;DR: A3149/0133136 (CAS 425646-77-1) is a chemical compound with molecular formula C23H24O7 and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]benzoate
Also Known As: A3149/0133136, ethyl 4-{5-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate, ethyl 4-(5-((2-(tert-butyl)-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate, ethyl 4-[5-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]benzoate, ethyl 4-{5-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-furyl}benzoate
| Molecular Formula | C23H24O7 |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 4.369 |
| Topological Polar Surface Area | 92.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.1522 |
| Heavy Atoms | 30 |
| Complexity | 982.9177 |
Chemical Identifiers
| CAS Number | 425646-77-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)OC(OC3=O)(C)C(C)(C)C |
Product Overview
A3149/0133136 (CAS 425646-77-1), with molecular formula C23H24O7 and molecular weight 412.15 g/mol. IUPAC: ethyl 4-[5-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]benzoate.
Chemical Property Profile of A3149/0133136
Property Insights of A3149/0133136
The XLogP value of 4.369 indicates that A3149/0133136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.04 Ų falls within the moderate polarity range, balancing permeability and solubility for A3149/0133136. Following Lipinski's Rule of Five, A3149/0133136 has 0 hydrogen bond donor(s) and 7 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 A3149/0133136?
The CAS number of A3149/0133136 is 425646-77-1.
What is the molecular formula of A3149/0133136?
The molecular formula of A3149/0133136 is C23H24O7.
What is the molecular weight of A3149/0133136?
The molecular weight of A3149/0133136 is 412.15 g/mol.
Where can I buy A3149/0133136?
You can request a quote for A3149/0133136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3149/0133136?
Yes, KEHONG BIO provides custom synthesis services for A3149/0133136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.