AB00102055-01
TL;DR: AB00102055-01 (CAS 340310-80-7) is a chemical compound with molecular formula C18H13N3O2S and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile
Also Known As: AB00102055-01, (E)-2-((4-((5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)phenoxy)methyl)benzonitrile, AM-879/12129036, F0921-0991, 2-[(4-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzonitrile
| Molecular Formula | C18H13N3O2S |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 2.48248 |
| Topological Polar Surface Area | 74.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.07285 |
| Heavy Atoms | 24 |
| Complexity | 866.57776 |
Chemical Identifiers
| CAS Number | 340310-80-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)COC2=CC=C(C=C2)/C=C/3\C(=O)NC(=S)N3)C#N |
Product Overview
AB00102055-01 (CAS 340310-80-7), with molecular formula C18H13N3O2S and molecular weight 335.07 g/mol. IUPAC: 2-[[4-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile.
Chemical Property Profile of AB00102055-01
Property Insights of AB00102055-01
The XLogP value of 2.48248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00102055-01. The TPSA of 74.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00102055-01. Following Lipinski's Rule of Five, AB00102055-01 has 2 hydrogen bond donor(s) and 4 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 AB00102055-01?
The CAS number of AB00102055-01 is 340310-80-7.
What is the molecular formula of AB00102055-01?
The molecular formula of AB00102055-01 is C18H13N3O2S.
What is the molecular weight of AB00102055-01?
The molecular weight of AB00102055-01 is 335.07 g/mol.
Where can I buy AB00102055-01?
You can request a quote for AB00102055-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00102055-01?
Yes, KEHONG BIO provides custom synthesis services for AB00102055-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.