AB01290466-01
TL;DR: AB01290466-01 (CAS 872869-40-4) is a chemical compound with molecular formula C16H13N3O3S2 and molecular weight 359.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-4-oxo-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
Also Known As: AB01290466-01, 7-methyl-4-oxo-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4H-chromene-2-carboxamide, 7-methyl-4-oxo-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide, N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide, 7-methyl-4-oxo-N-[(2Z)-5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4H-chromene-2-carboxamide
| Molecular Formula | C16H13N3O3S2 |
|---|---|
| Molecular Weight | 359.04 g/mol |
| LogP | 3.48332 |
| Topological Polar Surface Area | 85.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.03983 |
| Heavy Atoms | 24 |
| Complexity | 978.1033 |
Chemical Identifiers
| CAS Number | 872869-40-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)NC3=NN=C(S3)SCC=C |
Product Overview
AB01290466-01 (CAS 872869-40-4), with molecular formula C16H13N3O3S2 and molecular weight 359.04 g/mol. IUPAC: 7-methyl-4-oxo-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide.
Chemical Property Profile of AB01290466-01
Property Insights of AB01290466-01
The XLogP value of 3.48332 indicates that AB01290466-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01290466-01. Following Lipinski's Rule of Five, AB01290466-01 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 AB01290466-01?
The CAS number of AB01290466-01 is 872869-40-4.
What is the molecular formula of AB01290466-01?
The molecular formula of AB01290466-01 is C16H13N3O3S2.
What is the molecular weight of AB01290466-01?
The molecular weight of AB01290466-01 is 359.04 g/mol.
Where can I buy AB01290466-01?
You can request a quote for AB01290466-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01290466-01?
Yes, KEHONG BIO provides custom synthesis services for AB01290466-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.