ChemDiv3_004285
TL;DR: ChemDiv3_004285 (CAS 537010-86-9) is a chemical compound with molecular formula C26H25NO4 and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-9-(2-phenylethyl)-3,11-dioxa-9-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene-5-carboxylate
Also Known As: ChemDiv3_004285, IDI1_022195, ethyl 6-methyl-3-(2-phenylethyl)-3,4-dihydro-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazine-5-carboxylate, ethyl 2-methyl-5-(2-phenylethyl)-4H,6H-1,3-oxazino[5',6'-4,3]naphtho[1,2-b]fur an-3-carboxylate, ETHYL 6-METHYL-3-PHENETHYL-3,4-DIHYDRO-2H-FURO[3',2':3,4]NAPHTHO[2,1-E][1,3]OXAZINE-5-CARBOXYLATE
| Molecular Formula | C26H25NO4 |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 5.46572 |
| Topological Polar Surface Area | 51.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.17834 |
| Heavy Atoms | 31 |
| Complexity | 1259.123 |
Chemical Identifiers
| CAS Number | 537010-86-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C3=C(C4=CC=CC=C42)OCN(C3)CCC5=CC=CC=C5)C |
Product Overview
ChemDiv3_004285 (CAS 537010-86-9), with molecular formula C26H25NO4 and molecular weight 415.18 g/mol. IUPAC: ethyl 4-methyl-9-(2-phenylethyl)-3,11-dioxa-9-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene-5-carboxylate.
Chemical Property Profile of ChemDiv3_004285
Property Insights of ChemDiv3_004285
The XLogP value of 5.46572 indicates that ChemDiv3_004285 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.91 Ų, ChemDiv3_004285 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004285 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_004285?
The CAS number of ChemDiv3_004285 is 537010-86-9.
What is the molecular formula of ChemDiv3_004285?
The molecular formula of ChemDiv3_004285 is C26H25NO4.
What is the molecular weight of ChemDiv3_004285?
The molecular weight of ChemDiv3_004285 is 415.18 g/mol.
Where can I buy ChemDiv3_004285?
You can request a quote for ChemDiv3_004285 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004285?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004285 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.