ChemDiv3_003412
TL;DR: ChemDiv3_003412 (CAS 438485-31-5) is a chemical compound with molecular formula C28H29NO6 and molecular weight 475.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-4-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-2-methylbenzo[g][1]benzofuran-3-carboxylate
Also Known As: ChemDiv3_003412, IDI1_021322, F1094-0036, BRD-A81495244-001-01-5, ethyl 5-hydroxy-4-[(4-methoxyphenyl)(morpholin-4-yl)methyl]-2-methylnaphtho[1,2-b]furan-3-carboxylate
| Molecular Formula | C28H29NO6 |
|---|---|
| Molecular Weight | 475.20 g/mol |
| LogP | 5.20692 |
| Topological Polar Surface Area | 81.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.1995 |
| Heavy Atoms | 35 |
| Complexity | 1368.238 |
Chemical Identifiers
| CAS Number | 438485-31-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=C(C=C4)OC)N5CCOCC5)C |
Product Overview
ChemDiv3_003412 (CAS 438485-31-5), with molecular formula C28H29NO6 and molecular weight 475.20 g/mol. IUPAC: ethyl 5-hydroxy-4-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-2-methylbenzo[g][1]benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv3_003412
Property Insights of ChemDiv3_003412
The XLogP value of 5.20692 indicates that ChemDiv3_003412 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003412. Following Lipinski's Rule of Five, ChemDiv3_003412 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 ChemDiv3_003412?
The CAS number of ChemDiv3_003412 is 438485-31-5.
What is the molecular formula of ChemDiv3_003412?
The molecular formula of ChemDiv3_003412 is C28H29NO6.
What is the molecular weight of ChemDiv3_003412?
The molecular weight of ChemDiv3_003412 is 475.20 g/mol.
Where can I buy ChemDiv3_003412?
You can request a quote for ChemDiv3_003412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003412?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.