ChemDiv1_023318
TL;DR: ChemDiv1_023318 (CAS 5847-07-4) is a chemical compound with molecular formula C22H31NO4 and molecular weight 373.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9,11,13-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-trien-12-yl)methyl N-propylcarbamate
Also Known As: ChemDiv1_023318, BAS 01215123, BIM-0035088.P001, [1,3,4a-trimethyl-4,4a,9,9a-tetrahydro-1H-9,2-(epoxymethano)xanthen-2(3H)-yl]methyl propylcarbamate, (9,11,13-trimethyl-8,15-dioxatetracyclo[10.2.2.0~2,7~.0~9,14~]hexadeca-2,4,6-trien-12-yl)methyl propylcarbamate
| Molecular Formula | C22H31NO4 |
|---|---|
| Molecular Weight | 373.23 g/mol |
| LogP | 4.3237 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.2253 |
| Heavy Atoms | 27 |
| Complexity | 722.0193 |
Chemical Identifiers
| CAS Number | 5847-07-4 |
|---|---|
| SMILES | CCCNC(=O)OCC12COC3C(C1C)C(CC2C)(OC4=CC=CC=C34)C |
Product Overview
ChemDiv1_023318 (CAS 5847-07-4), with molecular formula C22H31NO4 and molecular weight 373.23 g/mol. IUPAC: (9,11,13-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-trien-12-yl)methyl N-propylcarbamate.
Chemical Property Profile of ChemDiv1_023318
Property Insights of ChemDiv1_023318
The XLogP value of 4.3237 indicates that ChemDiv1_023318 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, ChemDiv1_023318 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023318 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 ChemDiv1_023318?
The CAS number of ChemDiv1_023318 is 5847-07-4.
What is the molecular formula of ChemDiv1_023318?
The molecular formula of ChemDiv1_023318 is C22H31NO4.
What is the molecular weight of ChemDiv1_023318?
The molecular weight of ChemDiv1_023318 is 373.23 g/mol.
Where can I buy ChemDiv1_023318?
You can request a quote for ChemDiv1_023318 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023318?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023318 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.