AB00672351-01
TL;DR: AB00672351-01 (CAS 394230-04-7) is a chemical compound with molecular formula C13H12BrN3O3S2 and molecular weight 400.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
Also Known As: AB00672351-01, F0748-0065, methyl 2-((2-((5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate, methyl 2-[({[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]acetate, methyl 2-[2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
| Molecular Formula | C13H12BrN3O3S2 |
|---|---|
| Molecular Weight | 400.95 g/mol |
| LogP | 2.8123 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.95035 |
| Heavy Atoms | 22 |
| Complexity | 660.8049 |
Chemical Identifiers
| CAS Number | 394230-04-7 |
|---|---|
| SMILES | COC(=O)CSCC(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br |
Product Overview
AB00672351-01 (CAS 394230-04-7), with molecular formula C13H12BrN3O3S2 and molecular weight 400.95 g/mol. IUPAC: methyl 2-[2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate.
Chemical Property Profile of AB00672351-01
Property Insights of AB00672351-01
The XLogP value of 2.8123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00672351-01. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672351-01. Following Lipinski's Rule of Five, AB00672351-01 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 AB00672351-01?
The CAS number of AB00672351-01 is 394230-04-7.
What is the molecular formula of AB00672351-01?
The molecular formula of AB00672351-01 is C13H12BrN3O3S2.
What is the molecular weight of AB00672351-01?
The molecular weight of AB00672351-01 is 400.95 g/mol.
Where can I buy AB00672351-01?
You can request a quote for AB00672351-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672351-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672351-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.