ASN 12743681
TL;DR: ASN 12743681 (CAS 878719-65-4) is a chemical compound with molecular formula C13H16N6O3S and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-methyl-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-triazol-3-yl]methyl]morpholine
Also Known As: ASN 12743681, 4-((4-methyl-5-((3-nitropyridin-2-yl)thio)-4H-1,2,4-triazol-3-yl)methyl)morpholine, 4-({4-methyl-5-[(3-nitropyridin-2-yl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)morpholine, 4-[[4-methyl-5-(3-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]methyl]morpholine
| Molecular Formula | C13H16N6O3S |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 1.1017 |
| Topological Polar Surface Area | 99.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.10046 |
| Heavy Atoms | 23 |
| Complexity | 700.7684 |
Chemical Identifiers
| CAS Number | 878719-65-4 |
|---|---|
| SMILES | CN1C(=NN=C1SC2=C(C=CC=N2)[N+](=O)[O-])CN3CCOCC3 |
Product Overview
ASN 12743681 (CAS 878719-65-4), with molecular formula C13H16N6O3S and molecular weight 336.10 g/mol. IUPAC: 4-[[4-methyl-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-triazol-3-yl]methyl]morpholine.
Chemical Property Profile of ASN 12743681
Property Insights of ASN 12743681
The XLogP value of 1.1017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASN 12743681. The TPSA of 99.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 12743681. Following Lipinski's Rule of Five, ASN 12743681 has 0 hydrogen bond donor(s) and 8 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 ASN 12743681?
The CAS number of ASN 12743681 is 878719-65-4.
What is the molecular formula of ASN 12743681?
The molecular formula of ASN 12743681 is C13H16N6O3S.
What is the molecular weight of ASN 12743681?
The molecular weight of ASN 12743681 is 336.10 g/mol.
Where can I buy ASN 12743681?
You can request a quote for ASN 12743681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 12743681?
Yes, KEHONG BIO provides custom synthesis services for ASN 12743681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.