UPCMLD0ENAT5587830:001
TL;DR: UPCMLD0ENAT5587830:001 (CAS 885524-38-9) is a chemical compound with molecular formula C15H13ClN2O4S2 and molecular weight 384.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-chloroacetamide
Also Known As: UPCMLD0ENAT5587830:001, N-{2-[5-(2H-1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl}-2-chloroacetamide, N-[2-[5-(1,3-Benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-3-thiazolidinyl]ethyl]-2-chloroacetamide, N-[2-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-chloroacetamide, N-{2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethyl}-2-chloroacetamide
| Molecular Formula | C15H13ClN2O4S2 |
|---|---|
| Molecular Weight | 384.00 g/mol |
| LogP | 1.9715 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.00052 |
| Heavy Atoms | 24 |
| Complexity | 738.18427 |
Chemical Identifiers
| CAS Number | 885524-38-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCNC(=O)CCl |
Product Overview
UPCMLD0ENAT5587830:001 (CAS 885524-38-9), with molecular formula C15H13ClN2O4S2 and molecular weight 384.00 g/mol. IUPAC: N-[2-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-chloroacetamide.
Chemical Property Profile of UPCMLD0ENAT5587830:001
Property Insights of UPCMLD0ENAT5587830:001
The XLogP value of 1.9715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5587830:001. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5587830:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5587830:001 has 1 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 UPCMLD0ENAT5587830:001?
The CAS number of UPCMLD0ENAT5587830:001 is 885524-38-9.
What is the molecular formula of UPCMLD0ENAT5587830:001?
The molecular formula of UPCMLD0ENAT5587830:001 is C15H13ClN2O4S2.
What is the molecular weight of UPCMLD0ENAT5587830:001?
The molecular weight of UPCMLD0ENAT5587830:001 is 384.00 g/mol.
Where can I buy UPCMLD0ENAT5587830:001?
You can request a quote for UPCMLD0ENAT5587830:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5587830:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5587830:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.