BAS 00658720
TL;DR: BAS 00658720 (CAS 430432-36-3) is a chemical compound with molecular formula C31H28Cl2N2O6 and molecular weight 594.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,10-bis(3-chloro-4-methylphenyl)-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 00658720, ethyl 4,10-bis(3-chloro-4-methylphenyl)-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 2,6-bis(3-chloro-4-methylphenyl)-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-bis(3-chloro-4-methylphenyl)-8,10-dimethyl-1,3,5,7-tetraoxododecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate, ethyl 4,10-bis(3-chloro-4-methylphenyl)-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate
| Molecular Formula | C31H28Cl2N2O6 |
|---|---|
| Molecular Weight | 594.13 g/mol |
| LogP | 5.05094 |
| Topological Polar Surface Area | 101.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 594.13245 |
| Heavy Atoms | 41 |
| Complexity | 1534.6273 |
Chemical Identifiers
| CAS Number | 430432-36-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2C3C(C1(C4C2C(=O)N(C4=O)C5=CC(=C(C=C5)C)Cl)C)C(=O)N(C3=O)C6=CC(=C(C=C6)C)Cl)C |
Product Overview
BAS 00658720 (CAS 430432-36-3), with molecular formula C31H28Cl2N2O6 and molecular weight 594.13 g/mol. IUPAC: ethyl 4,10-bis(3-chloro-4-methylphenyl)-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 00658720
Property Insights of BAS 00658720
The XLogP value of 5.05094 indicates that BAS 00658720 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 00658720. Following Lipinski's Rule of Five, BAS 00658720 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 00658720?
The CAS number of BAS 00658720 is 430432-36-3.
What is the molecular formula of BAS 00658720?
The molecular formula of BAS 00658720 is C31H28Cl2N2O6.
What is the molecular weight of BAS 00658720?
The molecular weight of BAS 00658720 is 594.13 g/mol.
Where can I buy BAS 00658720?
You can request a quote for BAS 00658720 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00658720?
Yes, KEHONG BIO provides custom synthesis services for BAS 00658720 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.