ChemDiv1_019595
TL;DR: ChemDiv1_019595 (CAS 13318-46-2) is a chemical compound with molecular formula C21H27NO9 and molecular weight 437.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetamido-3,4-diacetyloxy-6-phenylmethoxyoxan-2-yl)methyl acetate
Also Known As: ChemDiv1_019595, BAS 00673621, UPCMLD0ENAT5484691:001, AB00557497-08, [3,4-bis(acetyloxy)-6-(benzyloxy)-5-acetamidooxan-2-yl]methyl acetate
| Molecular Formula | C21H27NO9 |
|---|---|
| Molecular Weight | 437.17 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 437.16858 |
| Heavy Atoms | 31 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 13318-46-2 |
|---|---|
| SMILES | CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | IDEBBPWXWFHKBU-UHFFFAOYSA-N |
Product Overview
ChemDiv1_019595 (CAS 13318-46-2), with molecular formula C21H27NO9 and molecular weight 437.17 g/mol. IUPAC: (5-acetamido-3,4-diacetyloxy-6-phenylmethoxyoxan-2-yl)methyl acetate.
Chemical Property Profile of ChemDiv1_019595
Property Insights of ChemDiv1_019595
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_019595. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_019595. Following Lipinski's Rule of Five, ChemDiv1_019595 has 1 hydrogen bond donor(s) and 9 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_019595?
The CAS number of ChemDiv1_019595 is 13318-46-2.
What is the molecular formula of ChemDiv1_019595?
The molecular formula of ChemDiv1_019595 is C21H27NO9.
What is the molecular weight of ChemDiv1_019595?
The molecular weight of ChemDiv1_019595 is 437.17 g/mol.
Where can I buy ChemDiv1_019595?
You can request a quote for ChemDiv1_019595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019595?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.