UPCMLD0ENAT5689736:001
TL;DR: UPCMLD0ENAT5689736:001 (CAS 882082-97-5) is a chemical compound with molecular formula C18H12ClNO3S2 and molecular weight 388.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: UPCMLD0ENAT5689736:001, 3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, 3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-2-thioxo-1,3-thiazolan-4-one
| Molecular Formula | C18H12ClNO3S2 |
|---|---|
| Molecular Weight | 388.99 g/mol |
| LogP | 4.517 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.99472 |
| Heavy Atoms | 25 |
| Complexity | 895.6942 |
Chemical Identifiers
| CAS Number | 882082-97-5 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C=C3C(=O)N(C(=S)S3)C4=CC=C(C=C4)Cl |
Product Overview
UPCMLD0ENAT5689736:001 (CAS 882082-97-5), with molecular formula C18H12ClNO3S2 and molecular weight 388.99 g/mol. IUPAC: 3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of UPCMLD0ENAT5689736:001
Property Insights of UPCMLD0ENAT5689736:001
The XLogP value of 4.517 indicates that UPCMLD0ENAT5689736:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, UPCMLD0ENAT5689736:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5689736:001 has 0 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 UPCMLD0ENAT5689736:001?
The CAS number of UPCMLD0ENAT5689736:001 is 882082-97-5.
What is the molecular formula of UPCMLD0ENAT5689736:001?
The molecular formula of UPCMLD0ENAT5689736:001 is C18H12ClNO3S2.
What is the molecular weight of UPCMLD0ENAT5689736:001?
The molecular weight of UPCMLD0ENAT5689736:001 is 388.99 g/mol.
Where can I buy UPCMLD0ENAT5689736:001?
You can request a quote for UPCMLD0ENAT5689736:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5689736:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5689736:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.