UPCMLD0ENAT5969321:001
TL;DR: UPCMLD0ENAT5969321:001 (CAS 827009-47-2) is a chemical compound with molecular formula C20H17BrN4O3S and molecular weight 472.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetyl-1'-benzyl-5'-bromo-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
Also Known As: UPCMLD0ENAT5969321:001, VU0609225-1, AO-022/43452806, F3294-0298, N-(4-acetyl-1'-benzyl-5'-bromo-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
| Molecular Formula | C20H17BrN4O3S |
|---|---|
| Molecular Weight | 472.02 g/mol |
| LogP | 3.1511 |
| Topological Polar Surface Area | 82.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 472.02048 |
| Heavy Atoms | 29 |
| Complexity | 1058.9468 |
Chemical Identifiers
| CAS Number | 827009-47-2 |
|---|---|
| SMILES | CC(=O)NC1=NN(C2(S1)C3=C(C=CC(=C3)Br)N(C2=O)CC4=CC=CC=C4)C(=O)C |
Product Overview
UPCMLD0ENAT5969321:001 (CAS 827009-47-2), with molecular formula C20H17BrN4O3S and molecular weight 472.02 g/mol. IUPAC: N-(4-acetyl-1'-benzyl-5'-bromo-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.
Chemical Property Profile of UPCMLD0ENAT5969321:001
Property Insights of UPCMLD0ENAT5969321:001
The XLogP value of 3.1511 indicates that UPCMLD0ENAT5969321:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.08 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5969321:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5969321:001 has 1 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5969321:001?
The CAS number of UPCMLD0ENAT5969321:001 is 827009-47-2.
What is the molecular formula of UPCMLD0ENAT5969321:001?
The molecular formula of UPCMLD0ENAT5969321:001 is C20H17BrN4O3S.
What is the molecular weight of UPCMLD0ENAT5969321:001?
The molecular weight of UPCMLD0ENAT5969321:001 is 472.02 g/mol.
Where can I buy UPCMLD0ENAT5969321:001?
You can request a quote for UPCMLD0ENAT5969321:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5969321:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5969321:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.