ChemDiv1_018010
TL;DR: ChemDiv1_018010 (CAS 347315-74-6) is a chemical compound with molecular formula C27H27ClN2O6 and molecular weight 510.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_018010, BIM-0015083.P001, A2552/0108667, 4-methoxybenzyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, (4-METHOXYPHENYL)METHYL 4-(2-CHLORO-5-NITROPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE
| Molecular Formula | C27H27ClN2O6 |
|---|---|
| Molecular Weight | 510.16 g/mol |
| LogP | 5.6042 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.15576 |
| Heavy Atoms | 36 |
| Complexity | 1310.0441 |
Chemical Identifiers
| CAS Number | 347315-74-6 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)OCC4=CC=C(C=C4)OC |
Product Overview
ChemDiv1_018010 (CAS 347315-74-6), with molecular formula C27H27ClN2O6 and molecular weight 510.16 g/mol. IUPAC: (4-methoxyphenyl)methyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_018010
Property Insights of ChemDiv1_018010
The XLogP value of 5.6042 indicates that ChemDiv1_018010 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018010. Following Lipinski's Rule of Five, ChemDiv1_018010 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_018010?
The CAS number of ChemDiv1_018010 is 347315-74-6.
What is the molecular formula of ChemDiv1_018010?
The molecular formula of ChemDiv1_018010 is C27H27ClN2O6.
What is the molecular weight of ChemDiv1_018010?
The molecular weight of ChemDiv1_018010 is 510.16 g/mol.
Where can I buy ChemDiv1_018010?
You can request a quote for ChemDiv1_018010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018010?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.