ChemDiv1_021554
TL;DR: ChemDiv1_021554 (CAS 1095323-50-4) is a chemical compound with molecular formula C22H31NO7 and molecular weight 421.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
Also Known As: ChemDiv1_021554, UPCMLD0ENAT5446432:001, F0798-0019, N-(4-butoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-8-carboxamide, N-(4-butoxyphenyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide
| Molecular Formula | C22H31NO7 |
|---|---|
| Molecular Weight | 421.21 g/mol |
| LogP | 3.2005 |
| Topological Polar Surface Area | 84.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.21005 |
| Heavy Atoms | 30 |
| Complexity | 763.25446 |
Chemical Identifiers
| CAS Number | 1095323-50-4 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)NC(=O)C2C3C(C4C(O2)OC(O4)(C)C)OC(O3)(C)C |
Product Overview
ChemDiv1_021554 (CAS 1095323-50-4), with molecular formula C22H31NO7 and molecular weight 421.21 g/mol. IUPAC: N-(4-butoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.
Chemical Property Profile of ChemDiv1_021554
Property Insights of ChemDiv1_021554
The XLogP value of 3.2005 indicates that ChemDiv1_021554 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021554. Following Lipinski's Rule of Five, ChemDiv1_021554 has 1 hydrogen bond donor(s) and 7 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_021554?
The CAS number of ChemDiv1_021554 is 1095323-50-4.
What is the molecular formula of ChemDiv1_021554?
The molecular formula of ChemDiv1_021554 is C22H31NO7.
What is the molecular weight of ChemDiv1_021554?
The molecular weight of ChemDiv1_021554 is 421.21 g/mol.
Where can I buy ChemDiv1_021554?
You can request a quote for ChemDiv1_021554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021554?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.