AB00687735-01
TL;DR: AB00687735-01 (CAS 877650-59-4) is a chemical compound with molecular formula C16H17N3O5S2 and molecular weight 395.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxopyran-3-yl] butanoate
Also Known As: AB00687735-01, F2532-0311, 6-(((5-(cyclopropanecarboxamido)-1,3,4-thiadiazol-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl butyrate, [6-[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxopyran-3-yl] butanoate, 6-{[(5-cyclopropaneamido-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl butanoate
| Molecular Formula | C16H17N3O5S2 |
|---|---|
| Molecular Weight | 395.06 g/mol |
| LogP | 2.8376 |
| Topological Polar Surface Area | 111.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 395.06097 |
| Heavy Atoms | 26 |
| Complexity | 859.56525 |
Chemical Identifiers
| CAS Number | 877650-59-4 |
|---|---|
| SMILES | CCCC(=O)OC1=COC(=CC1=O)CSC2=NN=C(S2)NC(=O)C3CC3 |
Product Overview
AB00687735-01 (CAS 877650-59-4), with molecular formula C16H17N3O5S2 and molecular weight 395.06 g/mol. IUPAC: [6-[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxopyran-3-yl] butanoate.
Chemical Property Profile of AB00687735-01
Property Insights of AB00687735-01
The XLogP value of 2.8376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00687735-01. The TPSA of 111.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687735-01. Following Lipinski's Rule of Five, AB00687735-01 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 AB00687735-01?
The CAS number of AB00687735-01 is 877650-59-4.
What is the molecular formula of AB00687735-01?
The molecular formula of AB00687735-01 is C16H17N3O5S2.
What is the molecular weight of AB00687735-01?
The molecular weight of AB00687735-01 is 395.06 g/mol.
Where can I buy AB00687735-01?
You can request a quote for AB00687735-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687735-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687735-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.