A1173/0054507
TL;DR: A1173/0054507 (CAS 311333-67-2) is a chemical compound with molecular formula C12H15N5S and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-9-methyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Also Known As: A1173/0054507, 2-amino-4-mercapto-9-methyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-amino-9-methyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 4-amino-9-methyl-2-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonit rile, 8-amino-3-methyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
| Molecular Formula | C12H15N5S |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 0.66046 |
| Topological Polar Surface Area | 88.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 261.10483 |
| Heavy Atoms | 18 |
| Complexity | 473.5663 |
Chemical Identifiers
| CAS Number | 311333-67-2 |
|---|---|
| SMILES | CN1CCC2(CC1)C(=C(NC(=C2C#N)S)N)C#N |
Product Overview
A1173/0054507 (CAS 311333-67-2), with molecular formula C12H15N5S and molecular weight 261.10 g/mol. IUPAC: 2-amino-9-methyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile.
Chemical Property Profile of A1173/0054507
Property Insights of A1173/0054507
The XLogP value of 0.66046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1173/0054507. The TPSA of 88.87 Ų falls within the moderate polarity range, balancing permeability and solubility for A1173/0054507. Following Lipinski's Rule of Five, A1173/0054507 has 3 hydrogen bond donor(s) and 6 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 A1173/0054507?
The CAS number of A1173/0054507 is 311333-67-2.
What is the molecular formula of A1173/0054507?
The molecular formula of A1173/0054507 is C12H15N5S.
What is the molecular weight of A1173/0054507?
The molecular weight of A1173/0054507 is 261.10 g/mol.
Where can I buy A1173/0054507?
You can request a quote for A1173/0054507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1173/0054507?
Yes, KEHONG BIO provides custom synthesis services for A1173/0054507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.