UPCMLD0ENAT0505-7053:001
TL;DR: UPCMLD0ENAT0505-7053:001 (CAS 378196-91-9) is a chemical compound with molecular formula C24H31NO3 and molecular weight 381.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-tert-butylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: UPCMLD0ENAT0505-7053:001, AF-399/15539245, Methyl 4-(4-(tert-butyl)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-(4-tert-butylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-(4-tert-butylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C24H31NO3 |
|---|---|
| Molecular Weight | 381.23 g/mol |
| LogP | 4.7611 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.2304 |
| Heavy Atoms | 28 |
| Complexity | 879.4205 |
Chemical Identifiers
| CAS Number | 378196-91-9 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC |
Product Overview
UPCMLD0ENAT0505-7053:001 (CAS 378196-91-9), with molecular formula C24H31NO3 and molecular weight 381.23 g/mol. IUPAC: methyl 4-(4-tert-butylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of UPCMLD0ENAT0505-7053:001
Property Insights of UPCMLD0ENAT0505-7053:001
The XLogP value of 4.7611 indicates that UPCMLD0ENAT0505-7053:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, UPCMLD0ENAT0505-7053:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0505-7053:001 has 1 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT0505-7053:001?
The CAS number of UPCMLD0ENAT0505-7053:001 is 378196-91-9.
What is the molecular formula of UPCMLD0ENAT0505-7053:001?
The molecular formula of UPCMLD0ENAT0505-7053:001 is C24H31NO3.
What is the molecular weight of UPCMLD0ENAT0505-7053:001?
The molecular weight of UPCMLD0ENAT0505-7053:001 is 381.23 g/mol.
Where can I buy UPCMLD0ENAT0505-7053:001?
You can request a quote for UPCMLD0ENAT0505-7053:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0505-7053:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0505-7053:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.