2-i-C3H7-C5H4N
TL;DR: 2-i-C3H7-C5H4N (CAS 16145-96-3) is a chemical compound with molecular formula C22H20O7 and molecular weight 396.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-[(7,9-dioxo-6,10-dioxaspiro[4.5]decan-8-ylidene)methyl]furan-2-yl]benzoate
Also Known As: 2-i-C3H7-C5H4N, BAS 01346711, Ethyl 4-(5-((7,9-dioxo-6,10-dioxaspiro[4.5]decan-8-ylidene)methyl)furan-2-yl)benzoate, ETHYL 4-[5-[(7,9-DIOXO-6,10-DIOXASPIRO[4.5]DEC-8-YLIDENE)METHYL]-2-FURYL]BENZOATE, ethyl 4-[5-[(7,9-dioxo-6,10-dioxaspiro[4.5]decan-8-ylidene)methyl]furan-2-yl]benzoate
| Molecular Formula | C22H20O7 |
|---|---|
| Molecular Weight | 396.12 g/mol |
| LogP | 3.877 |
| Topological Polar Surface Area | 92.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.1209 |
| Heavy Atoms | 29 |
| Complexity | 952.84467 |
Chemical Identifiers
| CAS Number | 16145-96-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)OC4(CCCC4)OC3=O |
Product Overview
2-i-C3H7-C5H4N (CAS 16145-96-3), with molecular formula C22H20O7 and molecular weight 396.12 g/mol. IUPAC: ethyl 4-[5-[(7,9-dioxo-6,10-dioxaspiro[4.5]decan-8-ylidene)methyl]furan-2-yl]benzoate.
Chemical Property Profile of 2-i-C3H7-C5H4N
Property Insights of 2-i-C3H7-C5H4N
The XLogP value of 3.877 indicates that 2-i-C3H7-C5H4N 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 2-i-C3H7-C5H4N. Following Lipinski's Rule of Five, 2-i-C3H7-C5H4N 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 2-i-C3H7-C5H4N?
The CAS number of 2-i-C3H7-C5H4N is 16145-96-3.
What is the molecular formula of 2-i-C3H7-C5H4N?
The molecular formula of 2-i-C3H7-C5H4N is C22H20O7.
What is the molecular weight of 2-i-C3H7-C5H4N?
The molecular weight of 2-i-C3H7-C5H4N is 396.12 g/mol.
Where can I buy 2-i-C3H7-C5H4N?
You can request a quote for 2-i-C3H7-C5H4N directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-i-C3H7-C5H4N?
Yes, KEHONG BIO provides custom synthesis services for 2-i-C3H7-C5H4N and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.