UPCMLD0ENAT5890420:001
TL;DR: UPCMLD0ENAT5890420:001 (CAS 727689-79-4) is a chemical compound with molecular formula C18H12N2O5S2 and molecular weight 400.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
Also Known As: UPCMLD0ENAT5890420:001, VU0618443-1, F3394-1251, 1-(2H-1,3-benzodioxol-5-yl)-2-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl}ethan-1-one, 1-(1,3-benzodioxol-5-yl)-2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
| Molecular Formula | C18H12N2O5S2 |
|---|---|
| Molecular Weight | 400.02 g/mol |
| LogP | 4.422 |
| Topological Polar Surface Area | 91.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.01877 |
| Heavy Atoms | 27 |
| Complexity | 1034.0964 |
Chemical Identifiers
| CAS Number | 727689-79-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
UPCMLD0ENAT5890420:001 (CAS 727689-79-4), with molecular formula C18H12N2O5S2 and molecular weight 400.02 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of UPCMLD0ENAT5890420:001
Property Insights of UPCMLD0ENAT5890420:001
The XLogP value of 4.422 indicates that UPCMLD0ENAT5890420:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.56 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5890420:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5890420:001 has 0 hydrogen bond donor(s) and 8 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 UPCMLD0ENAT5890420:001?
The CAS number of UPCMLD0ENAT5890420:001 is 727689-79-4.
What is the molecular formula of UPCMLD0ENAT5890420:001?
The molecular formula of UPCMLD0ENAT5890420:001 is C18H12N2O5S2.
What is the molecular weight of UPCMLD0ENAT5890420:001?
The molecular weight of UPCMLD0ENAT5890420:001 is 400.02 g/mol.
Where can I buy UPCMLD0ENAT5890420:001?
You can request a quote for UPCMLD0ENAT5890420:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5890420:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5890420:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.