A4005/0170748
TL;DR: A4005/0170748 (CAS 899369-99-4) is a chemical compound with molecular formula C20H21ClN2O6S and molecular weight 452.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-chloro-2-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)phenoxy]-1-morpholin-4-ylethanone
Also Known As: A4005/0170748, 2-[4-chloro-2-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)phenoxy]-1-morpholin-4-ylethanone, 2-[4-chloro-2-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)phenoxy]-1-(morpholin-4-yl)ethanone, 2-[4-CHLORO-2-(3,4-DIHYDRO-2H-1,4-BENZOXAZINE-4-SULFONYL)PHENOXY]-1-(MORPHOLIN-4-YL)ETHAN-1-ONE, 4-{[5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine
| Molecular Formula | C20H21ClN2O6S |
|---|---|
| Molecular Weight | 452.08 g/mol |
| LogP | 2.1653 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.08087 |
| Heavy Atoms | 30 |
| Complexity | 1039.3423 |
Chemical Identifiers
| CAS Number | 899369-99-4 |
|---|---|
| SMILES | C1COCCN1C(=O)COC2=C(C=C(C=C2)Cl)S(=O)(=O)N3CCOC4=CC=CC=C43 |
Product Overview
A4005/0170748 (CAS 899369-99-4), with molecular formula C20H21ClN2O6S and molecular weight 452.08 g/mol. IUPAC: 2-[4-chloro-2-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)phenoxy]-1-morpholin-4-ylethanone.
Chemical Property Profile of A4005/0170748
Property Insights of A4005/0170748
The XLogP value of 2.1653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4005/0170748. The TPSA of 85.38 Ų falls within the moderate polarity range, balancing permeability and solubility for A4005/0170748. Following Lipinski's Rule of Five, A4005/0170748 has 0 hydrogen bond donor(s) and 6 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 A4005/0170748?
The CAS number of A4005/0170748 is 899369-99-4.
What is the molecular formula of A4005/0170748?
The molecular formula of A4005/0170748 is C20H21ClN2O6S.
What is the molecular weight of A4005/0170748?
The molecular weight of A4005/0170748 is 452.08 g/mol.
Where can I buy A4005/0170748?
You can request a quote for A4005/0170748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4005/0170748?
Yes, KEHONG BIO provides custom synthesis services for A4005/0170748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.