BAS 00659213
TL;DR: BAS 00659213 (CAS 463298-29-5) is a chemical compound with molecular formula C31H30N2O6 and molecular weight 526.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,10-dibenzyl-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate
Also Known As: BAS 00659213, ethyl 2,6-dibenzyl-8,10-dimethyl-1,3,5,7-tetraoxo-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate, ethyl 2,6-dibenzyl-8,10-dimethyl-1,3,5,7-tetraoxododecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate, ethyl 4,10-bisbenzyl-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5. 2.0<2,6>.0<8,12>]tetradec-13-ene-13-carboxylate, Ethyl 4,10-dibenzyl-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-13-carboxylate
| Molecular Formula | C31H30N2O6 |
|---|---|
| Molecular Weight | 526.21 g/mol |
| LogP | 3.1185 |
| Topological Polar Surface Area | 101.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.2104 |
| Heavy Atoms | 39 |
| Complexity | 1345.9891 |
Chemical Identifiers
| CAS Number | 463298-29-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2C3C(C1(C4C2C(=O)N(C4=O)CC5=CC=CC=C5)C)C(=O)N(C3=O)CC6=CC=CC=C6)C |
Product Overview
BAS 00659213 (CAS 463298-29-5), with molecular formula C31H30N2O6 and molecular weight 526.21 g/mol. IUPAC: ethyl 4,10-dibenzyl-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate.
Chemical Property Profile of BAS 00659213
Property Insights of BAS 00659213
The XLogP value of 3.1185 indicates that BAS 00659213 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00659213. Following Lipinski's Rule of Five, BAS 00659213 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00659213?
The CAS number of BAS 00659213 is 463298-29-5.
What is the molecular formula of BAS 00659213?
The molecular formula of BAS 00659213 is C31H30N2O6.
What is the molecular weight of BAS 00659213?
The molecular weight of BAS 00659213 is 526.21 g/mol.
Where can I buy BAS 00659213?
You can request a quote for BAS 00659213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00659213?
Yes, KEHONG BIO provides custom synthesis services for BAS 00659213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.