BAS 00389632
TL;DR: BAS 00389632 (CAS 487000-95-3) is a chemical compound with molecular formula C28H22N2O8 and molecular weight 514.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[10-(3-acetyloxyphenyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]phenyl] acetate
Also Known As: BAS 00389632, F0042-0024, 3-{10-[3-(acetyloxy)phenyl]-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0^{2,6}.0^{8,12}]tetradec-13-en-4-yl}phenyl acetate, (1,3,5,7-tetraoxo-3a,4,4a,5,7,7a,8,8a-octahydro-4,8-ethenopyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)bis(3,1-phenylene) diacetate, [3-[10-(3-Acetyloxyphenyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]phenyl] acetate
| Molecular Formula | C28H22N2O8 |
|---|---|
| Molecular Weight | 514.14 g/mol |
| LogP | 2.2644 |
| Topological Polar Surface Area | 127.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 514.13763 |
| Heavy Atoms | 38 |
| Complexity | 1325.2019 |
Chemical Identifiers
| CAS Number | 487000-95-3 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)C6=CC(=CC=C6)OC(=O)C |
Product Overview
BAS 00389632 (CAS 487000-95-3), with molecular formula C28H22N2O8 and molecular weight 514.14 g/mol. IUPAC: [3-[10-(3-acetyloxyphenyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]phenyl] acetate.
Chemical Property Profile of BAS 00389632
Property Insights of BAS 00389632
The XLogP value of 2.2644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00389632. The TPSA of 127.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00389632. Following Lipinski's Rule of Five, BAS 00389632 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00389632?
The CAS number of BAS 00389632 is 487000-95-3.
What is the molecular formula of BAS 00389632?
The molecular formula of BAS 00389632 is C28H22N2O8.
What is the molecular weight of BAS 00389632?
The molecular weight of BAS 00389632 is 514.14 g/mol.
Where can I buy BAS 00389632?
You can request a quote for BAS 00389632 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00389632?
Yes, KEHONG BIO provides custom synthesis services for BAS 00389632 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.