BIM-0035695.P001
TL;DR: BIM-0035695.P001 (CAS 299451-43-7) is a chemical compound with molecular formula C27H26ClNO5 and molecular weight 479.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BIM-0035695.P001, A2380/0100668, benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C27H26ClNO5 |
|---|---|
| Molecular Weight | 479.15 g/mol |
| LogP | 5.4161 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.14996 |
| Heavy Atoms | 34 |
| Complexity | 1245.1667 |
Chemical Identifiers
| CAS Number | 299451-43-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3Cl)OCO4)C(=O)OCC5=CC=CC=C5 |
Product Overview
BIM-0035695.P001 (CAS 299451-43-7), with molecular formula C27H26ClNO5 and molecular weight 479.15 g/mol. IUPAC: benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BIM-0035695.P001
Property Insights of BIM-0035695.P001
The XLogP value of 5.4161 indicates that BIM-0035695.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0035695.P001. Following Lipinski's Rule of Five, BIM-0035695.P001 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0035695.P001?
The CAS number of BIM-0035695.P001 is 299451-43-7.
What is the molecular formula of BIM-0035695.P001?
The molecular formula of BIM-0035695.P001 is C27H26ClNO5.
What is the molecular weight of BIM-0035695.P001?
The molecular weight of BIM-0035695.P001 is 479.15 g/mol.
Where can I buy BIM-0035695.P001?
You can request a quote for BIM-0035695.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0035695.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0035695.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.