AB00076323-01
TL;DR: AB00076323-01 (CAS 300800-90-2) is a chemical compound with molecular formula C19H17ClN4O2S and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(E)-(4-chlorophenyl)methylideneamino]carbamimidothioate
Also Known As: AB00076323-01, (E)-2,5-dioxo-1-(o-tolyl)pyrrolidin-3-yl 2-(4-chlorobenzylidene)hydrazinecarbimidothioate, [1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(E)-(4-chlorophenyl)methylideneamino]carbamimidothioate, 1-(2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl 2-(4-chlorobenzylidene)hydrazinecarbimidothioate
| Molecular Formula | C19H17ClN4O2S |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 3.36232 |
| Topological Polar Surface Area | 88.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.07608 |
| Heavy Atoms | 27 |
| Complexity | 927.5618 |
Chemical Identifiers
| CAS Number | 300800-90-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)CC(C2=O)S/C(=N/N=C/C3=CC=C(C=C3)Cl)/N |
Product Overview
AB00076323-01 (CAS 300800-90-2), with molecular formula C19H17ClN4O2S and molecular weight 400.08 g/mol. IUPAC: [1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(E)-(4-chlorophenyl)methylideneamino]carbamimidothioate.
Chemical Property Profile of AB00076323-01
Property Insights of AB00076323-01
The XLogP value of 3.36232 indicates that AB00076323-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00076323-01. Following Lipinski's Rule of Five, AB00076323-01 has 1 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 AB00076323-01?
The CAS number of AB00076323-01 is 300800-90-2.
What is the molecular formula of AB00076323-01?
The molecular formula of AB00076323-01 is C19H17ClN4O2S.
What is the molecular weight of AB00076323-01?
The molecular weight of AB00076323-01 is 400.08 g/mol.
Where can I buy AB00076323-01?
You can request a quote for AB00076323-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00076323-01?
Yes, KEHONG BIO provides custom synthesis services for AB00076323-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.