AB00672450-01
TL;DR: AB00672450-01 (CAS 394239-29-3) is a chemical compound with molecular formula C15H16N4O5S2 and molecular weight 396.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]sulfanylacetate
Also Known As: AB00672450-01, F0748-0565, methyl 2-((1-((5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)amino)-1-oxobutan-2-yl)thio)acetate, methyl 2-[(1-{[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}propyl)sulfanyl]acetate, methyl 2-[1-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]sulfanylacetate
| Molecular Formula | C15H16N4O5S2 |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 2.7366 |
| Topological Polar Surface Area | 124.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.0562 |
| Heavy Atoms | 26 |
| Complexity | 810.83936 |
Chemical Identifiers
| CAS Number | 394239-29-3 |
|---|---|
| SMILES | CCC(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])SCC(=O)OC |
Product Overview
AB00672450-01 (CAS 394239-29-3), with molecular formula C15H16N4O5S2 and molecular weight 396.06 g/mol. IUPAC: methyl 2-[1-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]sulfanylacetate.
Chemical Property Profile of AB00672450-01
Property Insights of AB00672450-01
The XLogP value of 2.7366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00672450-01. The TPSA of 124.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672450-01. Following Lipinski's Rule of Five, AB00672450-01 has 1 hydrogen bond donor(s) and 9 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 AB00672450-01?
The CAS number of AB00672450-01 is 394239-29-3.
What is the molecular formula of AB00672450-01?
The molecular formula of AB00672450-01 is C15H16N4O5S2.
What is the molecular weight of AB00672450-01?
The molecular weight of AB00672450-01 is 396.06 g/mol.
Where can I buy AB00672450-01?
You can request a quote for AB00672450-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672450-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672450-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.