SAD-E_002776
TL;DR: SAD-E_002776 (CAS 6102-52-9) is a chemical compound with molecular formula C42H45N3O9 and molecular weight 735.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2-hydroxyethylamino)-3-oxopropyl]-11-[[4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenyl]phenyl]methyl]-9-oxo-4,4-diphenyl-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane-13-carboxamide
Also Known As: SAD-E_002776, N-{3-[(2-Hydroxyethyl)amino]-3-oxopropyl}-2-({4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethen-1-yl]phenyl}methyl)-10-oxo-7,7-diphenylhexahydro-7H-5,3-(epoxymethano)[1,3]dioxolo[4,5-g][1,2]benzoxazole-3a(4H)-carboxamide
| Molecular Formula | C42H45N3O9 |
|---|---|
| Molecular Weight | 735.32 g/mol |
| LogP | 3.3673 |
| Topological Polar Surface Area | 148.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 735.31555 |
| Heavy Atoms | 54 |
| Complexity | 1852.0342 |
Chemical Identifiers
| CAS Number | 6102-52-9 |
|---|---|
| SMILES | C1CC2C(O2)CC1C=CC3=CC=C(C=C3)CN4C5C(=O)OC6CC5(C(O4)C7C6OC(O7)(C8=CC=CC=C8)C9=CC=CC=C9)C(=O)NCCC(=O)NCCO |
Product Overview
SAD-E_002776 (CAS 6102-52-9), with molecular formula C42H45N3O9 and molecular weight 735.32 g/mol. IUPAC: N-[3-(2-hydroxyethylamino)-3-oxopropyl]-11-[[4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenyl]phenyl]methyl]-9-oxo-4,4-diphenyl-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane-13-carboxamide.
Chemical Property Profile of SAD-E_002776
Property Insights of SAD-E_002776
The XLogP value of 3.3673 indicates that SAD-E_002776 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.19 Ų indicates high polarity, suggesting SAD-E_002776 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SAD-E_002776 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SAD-E_002776?
The CAS number of SAD-E_002776 is 6102-52-9.
What is the molecular formula of SAD-E_002776?
The molecular formula of SAD-E_002776 is C42H45N3O9.
What is the molecular weight of SAD-E_002776?
The molecular weight of SAD-E_002776 is 735.32 g/mol.
Where can I buy SAD-E_002776?
You can request a quote for SAD-E_002776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SAD-E_002776?
Yes, KEHONG BIO provides custom synthesis services for SAD-E_002776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.