BAS 00411537
TL;DR: BAS 00411537 (CAS 79988-77-5) is a chemical compound with molecular formula C21H29NO6 and molecular weight 391.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: BAS 00411537, NCI60_028402, AB00086217-01, diethyl 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, Diethyl 2-(4-(dimethylamino)phenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
| Molecular Formula | C21H29NO6 |
|---|---|
| Molecular Weight | 391.20 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.1995 |
| Heavy Atoms | 28 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 79988-77-5 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)N(C)C |
| InChIKey | QUSPUJJUTGSQHE-UHFFFAOYSA-N |
Product Overview
BAS 00411537 (CAS 79988-77-5), with molecular formula C21H29NO6 and molecular weight 391.20 g/mol. IUPAC: diethyl 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of BAS 00411537
Property Insights of BAS 00411537
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00411537. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00411537. Following Lipinski's Rule of Five, BAS 00411537 has 1 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 00411537?
The CAS number of BAS 00411537 is 79988-77-5.
What is the molecular formula of BAS 00411537?
The molecular formula of BAS 00411537 is C21H29NO6.
What is the molecular weight of BAS 00411537?
The molecular weight of BAS 00411537 is 391.20 g/mol.
Where can I buy BAS 00411537?
You can request a quote for BAS 00411537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00411537?
Yes, KEHONG BIO provides custom synthesis services for BAS 00411537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.