AB00681030-01
TL;DR: AB00681030-01 (CAS 886937-08-2) is a chemical compound with molecular formula C16H13FN4O4S2 and molecular weight 408.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: AB00681030-01, F2680-0243, methyl 5-{[(5-{[(4-fluorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate, methyl 5-(((5-(3-(4-fluorophenyl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)furan-2-carboxylate, methyl 5-[[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C16H13FN4O4S2 |
|---|---|
| Molecular Weight | 408.04 g/mol |
| LogP | 3.9931 |
| Topological Polar Surface Area | 106.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.03622 |
| Heavy Atoms | 27 |
| Complexity | 942.06067 |
Chemical Identifiers
| CAS Number | 886937-08-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CSC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F |
Product Overview
AB00681030-01 (CAS 886937-08-2), with molecular formula C16H13FN4O4S2 and molecular weight 408.04 g/mol. IUPAC: methyl 5-[[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of AB00681030-01
Property Insights of AB00681030-01
The XLogP value of 3.9931 indicates that AB00681030-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00681030-01. Following Lipinski's Rule of Five, AB00681030-01 has 2 hydrogen bond donor(s) and 8 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 AB00681030-01?
The CAS number of AB00681030-01 is 886937-08-2.
What is the molecular formula of AB00681030-01?
The molecular formula of AB00681030-01 is C16H13FN4O4S2.
What is the molecular weight of AB00681030-01?
The molecular weight of AB00681030-01 is 408.04 g/mol.
Where can I buy AB00681030-01?
You can request a quote for AB00681030-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681030-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681030-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.