AB00111987-01
TL;DR: AB00111987-01 (CAS 429652-28-8) is a chemical compound with molecular formula C17H19N3O4S and molecular weight 361.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]acetamide
Also Known As: AB00111987-01, (Z)-2-(3-(morpholinomethyl)-2,4-dioxothiazolidin-5-ylidene)-N-(p-tolyl)acetamide, (2Z)-N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]acetamide, (2Z)-N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]ethanamide, N-(4-methylphenyl)-2-[3-(4-morpholinylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]acetamide
| Molecular Formula | C17H19N3O4S |
|---|---|
| Molecular Weight | 361.11 g/mol |
| LogP | 1.80252 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.10962 |
| Heavy Atoms | 25 |
| Complexity | 711.1081 |
Chemical Identifiers
| CAS Number | 429652-28-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)/C=C\2/C(=O)N(C(=O)S2)CN3CCOCC3 |
Product Overview
AB00111987-01 (CAS 429652-28-8), with molecular formula C17H19N3O4S and molecular weight 361.11 g/mol. IUPAC: (2Z)-N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]acetamide.
Chemical Property Profile of AB00111987-01
Property Insights of AB00111987-01
The XLogP value of 1.80252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00111987-01. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111987-01. Following Lipinski's Rule of Five, AB00111987-01 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 AB00111987-01?
The CAS number of AB00111987-01 is 429652-28-8.
What is the molecular formula of AB00111987-01?
The molecular formula of AB00111987-01 is C17H19N3O4S.
What is the molecular weight of AB00111987-01?
The molecular weight of AB00111987-01 is 361.11 g/mol.
Where can I buy AB00111987-01?
You can request a quote for AB00111987-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111987-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111987-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.