ChemDiv1_002109
TL;DR: ChemDiv1_002109 (CAS 329066-03-7) is a chemical compound with molecular formula C28H28ClNO6 and molecular weight 509.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(4-chlorobenzoyl)oxy-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_002109, A1903/0079936, methyl 4-(4-{[(4-chlorophenyl)carbonyl]oxy}-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-[4-(4-chlorobenzoyl)oxy-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, 2-methoxy-4-[3-(methoxycarbonyl)-2,7,7-trimethyl-5-oxo(4-1,4,6,7,8-pentahydroq uinolyl)]phenyl 4-chlorobenzoate
| Molecular Formula | C28H28ClNO6 |
|---|---|
| Molecular Weight | 509.16 g/mol |
| LogP | 5.3448 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.16052 |
| Heavy Atoms | 36 |
| Complexity | 1305.8201 |
Chemical Identifiers
| CAS Number | 329066-03-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl)OC)C(=O)OC |
Product Overview
ChemDiv1_002109 (CAS 329066-03-7), with molecular formula C28H28ClNO6 and molecular weight 509.16 g/mol. IUPAC: methyl 4-[4-(4-chlorobenzoyl)oxy-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002109
Property Insights of ChemDiv1_002109
The XLogP value of 5.3448 indicates that ChemDiv1_002109 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002109. Following Lipinski's Rule of Five, ChemDiv1_002109 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002109?
The CAS number of ChemDiv1_002109 is 329066-03-7.
What is the molecular formula of ChemDiv1_002109?
The molecular formula of ChemDiv1_002109 is C28H28ClNO6.
What is the molecular weight of ChemDiv1_002109?
The molecular weight of ChemDiv1_002109 is 509.16 g/mol.
Where can I buy ChemDiv1_002109?
You can request a quote for ChemDiv1_002109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002109?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.