AB00112607-01
TL;DR: AB00112607-01 (CAS 473804-19-2) is a chemical compound with molecular formula C27H23NO6 and molecular weight 457.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzoate
Also Known As: AB00112607-01, 2-(4-methoxyphenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate, 2-(4-methoxyphenyl)-2-oxoethyl 3-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate, 2-(4-methoxyphenyl)-2-oxoethyl 3-(3,5-dioxo-4-azatetracyclo[5.3.2.0<2,6>.0<8,1 0>]dodec-11-en-4-yl)benzoate, 2-(4-METHOXYPHENYL)-2-OXOETHYL 3-{3,5-DIOXO-4-AZATETRACYCLO[5.3.2.0(2),?.0?,(1)?]DODEC-11-EN-4-YL}BENZOATE
| Molecular Formula | C27H23NO6 |
|---|---|
| Molecular Weight | 457.15 g/mol |
| LogP | 3.2924 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.15253 |
| Heavy Atoms | 34 |
| Complexity | 1212.0216 |
Chemical Identifiers
| CAS Number | 473804-19-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6 |
Product Overview
AB00112607-01 (CAS 473804-19-2), with molecular formula C27H23NO6 and molecular weight 457.15 g/mol. IUPAC: [2-(4-methoxyphenyl)-2-oxoethyl] 3-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzoate.
Chemical Property Profile of AB00112607-01
Property Insights of AB00112607-01
The XLogP value of 3.2924 indicates that AB00112607-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00112607-01. Following Lipinski's Rule of Five, AB00112607-01 has 0 hydrogen bond donor(s) and 6 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 AB00112607-01?
The CAS number of AB00112607-01 is 473804-19-2.
What is the molecular formula of AB00112607-01?
The molecular formula of AB00112607-01 is C27H23NO6.
What is the molecular weight of AB00112607-01?
The molecular weight of AB00112607-01 is 457.15 g/mol.
Where can I buy AB00112607-01?
You can request a quote for AB00112607-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112607-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112607-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.