AB00684402-01
TL;DR: AB00684402-01 (CAS 681159-95-5) is a chemical compound with molecular formula C14H11ClN2O3S3 and molecular weight 385.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(5-chlorothiophene-2-carbonyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate
Also Known As: AB00684402-01, F0536-0505, ethyl 5-(5-chlorothiophene-2-amido)-4-(cyanosulfanyl)-3-methylthiophene-2-carboxylate, ethyl 5-(5-chlorothiophene-2-carboxamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate, ethyl 5-[(5-chlorothiophene-2-carbonyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate
| Molecular Formula | C14H11ClN2O3S3 |
|---|---|
| Molecular Weight | 385.96 g/mol |
| LogP | 4.7736 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.96204 |
| Heavy Atoms | 23 |
| Complexity | 791.7781 |
Chemical Identifiers
| CAS Number | 681159-95-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(S2)Cl)SC#N)C |
Product Overview
AB00684402-01 (CAS 681159-95-5), with molecular formula C14H11ClN2O3S3 and molecular weight 385.96 g/mol. IUPAC: ethyl 5-[(5-chlorothiophene-2-carbonyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate.
Chemical Property Profile of AB00684402-01
Property Insights of AB00684402-01
The XLogP value of 4.7736 indicates that AB00684402-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684402-01. Following Lipinski's Rule of Five, AB00684402-01 has 1 hydrogen bond donor(s) and 7 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 AB00684402-01?
The CAS number of AB00684402-01 is 681159-95-5.
What is the molecular formula of AB00684402-01?
The molecular formula of AB00684402-01 is C14H11ClN2O3S3.
What is the molecular weight of AB00684402-01?
The molecular weight of AB00684402-01 is 385.96 g/mol.
Where can I buy AB00684402-01?
You can request a quote for AB00684402-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684402-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684402-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.