ChemDiv1_011771
TL;DR: ChemDiv1_011771 (CAS 309279-52-5) is a chemical compound with molecular formula C31H32ClNO6 and molecular weight 549.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl] N-(3-chlorophenyl)carbamate
Also Known As: ChemDiv1_011771, UPCMLD0ENAT0504-6143:001, A2086/0087731, 2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl (3-chlorophenyl)carbamate, [2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl] N-(3-chlorophenyl)carbamate
| Molecular Formula | C31H32ClNO6 |
|---|---|
| Molecular Weight | 549.19 g/mol |
| LogP | 7.3597 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 549.19183 |
| Heavy Atoms | 39 |
| Complexity | 1398.7245 |
Chemical Identifiers
| CAS Number | 309279-52-5 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC(=O)NC5=CC(=CC=C5)Cl)OC)C(=O)C1)C |
Product Overview
ChemDiv1_011771 (CAS 309279-52-5), with molecular formula C31H32ClNO6 and molecular weight 549.19 g/mol. IUPAC: [2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl] N-(3-chlorophenyl)carbamate.
Chemical Property Profile of ChemDiv1_011771
Property Insights of ChemDiv1_011771
The XLogP value of 7.3597 indicates that ChemDiv1_011771 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_011771. Following Lipinski's Rule of Five, ChemDiv1_011771 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 ChemDiv1_011771?
The CAS number of ChemDiv1_011771 is 309279-52-5.
What is the molecular formula of ChemDiv1_011771?
The molecular formula of ChemDiv1_011771 is C31H32ClNO6.
What is the molecular weight of ChemDiv1_011771?
The molecular weight of ChemDiv1_011771 is 549.19 g/mol.
Where can I buy ChemDiv1_011771?
You can request a quote for ChemDiv1_011771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011771?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.