BAS 00337686
TL;DR: BAS 00337686 (CAS 331465-24-8) is a chemical compound with molecular formula C25H30N2O7 and molecular weight 470.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[4,11,15-trioxo-14-(2-oxo-2-propan-2-yloxyethyl)-3,12-diazatetracyclo[10.3.1.13,14.05,10]heptadeca-5,7,9-trien-1-yl]acetate
Also Known As: BAS 00337686, diisopropyl 2,2'-((2s,4R,6S)-1,5,9-trioxo-3,4,5,6,7,9-hexahydro-1H-2,6:4,8-dimethanobenzo[c][1,6]diazacycloundecine-4,6-diyl)diacetate, diisopropyl 2,2'-(4,11,15-trioxo-3,12-diazatetracyclo[10.3.1.1~3,14~.0~5,10~]heptadeca-5,7,9-triene-1,14-diyl)diacetate, dipropan-2-yl 2,2'-(4,11,15-trioxo-3,12-diazatetracyclo[10.3.1.1~3,14~.0~5,10~]heptadeca-5,7,9-triene-1,14-diyl)diacetate (non-preferred name), methylethyl 2-(14-{[(methylethyl)oxycarbonyl]methyl}-4,11,15-trioxo-3,12-diaza tetracyclo[10.3.1.1<3,14>.0<5,10>]heptadeca-5(10),6,8-trienyl)acetate
| Molecular Formula | C25H30N2O7 |
|---|---|
| Molecular Weight | 470.21 g/mol |
| LogP | 1.8371 |
| Topological Polar Surface Area | 110.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.2053 |
| Heavy Atoms | 34 |
| Complexity | 968.0988 |
Chemical Identifiers
| CAS Number | 331465-24-8 |
|---|---|
| SMILES | CC(C)OC(=O)CC12CN3CC(C1=O)(CN(C2)C(=O)C4=CC=CC=C4C3=O)CC(=O)OC(C)C |
Product Overview
BAS 00337686 (CAS 331465-24-8), with molecular formula C25H30N2O7 and molecular weight 470.21 g/mol. IUPAC: propan-2-yl 2-[4,11,15-trioxo-14-(2-oxo-2-propan-2-yloxyethyl)-3,12-diazatetracyclo[10.3.1.13,14.05,10]heptadeca-5,7,9-trien-1-yl]acetate.
Chemical Property Profile of BAS 00337686
Property Insights of BAS 00337686
The XLogP value of 1.8371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00337686. The TPSA of 110.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00337686. Following Lipinski's Rule of Five, BAS 00337686 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 BAS 00337686?
The CAS number of BAS 00337686 is 331465-24-8.
What is the molecular formula of BAS 00337686?
The molecular formula of BAS 00337686 is C25H30N2O7.
What is the molecular weight of BAS 00337686?
The molecular weight of BAS 00337686 is 470.21 g/mol.
Where can I buy BAS 00337686?
You can request a quote for BAS 00337686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00337686?
Yes, KEHONG BIO provides custom synthesis services for BAS 00337686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.