BAS 00380987
TL;DR: BAS 00380987 (CAS 5136-12-9) is a chemical compound with molecular formula C22H27NO4 and molecular weight 369.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00380987, methyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, methyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, methyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoline- 3-carboxylate
| Molecular Formula | C22H27NO4 |
|---|---|
| Molecular Weight | 369.19 g/mol |
| LogP | 3.8623 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.194 |
| Heavy Atoms | 27 |
| Complexity | 830.37366 |
Chemical Identifiers
| CAS Number | 5136-12-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C |
Product Overview
BAS 00380987 (CAS 5136-12-9), with molecular formula C22H27NO4 and molecular weight 369.19 g/mol. IUPAC: methyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00380987
Property Insights of BAS 00380987
The XLogP value of 3.8623 indicates that BAS 00380987 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00380987. Following Lipinski's Rule of Five, BAS 00380987 has 1 hydrogen bond donor(s) and 5 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 00380987?
The CAS number of BAS 00380987 is 5136-12-9.
What is the molecular formula of BAS 00380987?
The molecular formula of BAS 00380987 is C22H27NO4.
What is the molecular weight of BAS 00380987?
The molecular weight of BAS 00380987 is 369.19 g/mol.
Where can I buy BAS 00380987?
You can request a quote for BAS 00380987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00380987?
Yes, KEHONG BIO provides custom synthesis services for BAS 00380987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.