AB00111004-01
TL;DR: AB00111004-01 (CAS 383371-91-3) is a chemical compound with molecular formula C18H19N3O2S3 and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
Also Known As: AB00111004-01, (Z)-N-(4,5-dihydrothiazol-2-yl)-4-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide, N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide, N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide, N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
| Molecular Formula | C18H19N3O2S3 |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 3.19542 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.06393 |
| Heavy Atoms | 26 |
| Complexity | 787.376 |
Chemical Identifiers
| CAS Number | 383371-91-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=NCCS3 |
Product Overview
AB00111004-01 (CAS 383371-91-3), with molecular formula C18H19N3O2S3 and molecular weight 405.06 g/mol. IUPAC: N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.
Chemical Property Profile of AB00111004-01
Property Insights of AB00111004-01
The XLogP value of 3.19542 indicates that AB00111004-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111004-01. Following Lipinski's Rule of Five, AB00111004-01 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 AB00111004-01?
The CAS number of AB00111004-01 is 383371-91-3.
What is the molecular formula of AB00111004-01?
The molecular formula of AB00111004-01 is C18H19N3O2S3.
What is the molecular weight of AB00111004-01?
The molecular weight of AB00111004-01 is 405.06 g/mol.
Where can I buy AB00111004-01?
You can request a quote for AB00111004-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111004-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111004-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.