A3099/0131187
TL;DR: A3099/0131187 (CAS 681838-37-9) is a chemical compound with molecular formula C14H14N6O2S2 and molecular weight 362.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: A3099/0131187, 2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C14H14N6O2S2 |
|---|---|
| Molecular Weight | 362.06 g/mol |
| LogP | 2.61482 |
| Topological Polar Surface Area | 98.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.06198 |
| Heavy Atoms | 24 |
| Complexity | 839.4531 |
Chemical Identifiers
| CAS Number | 681838-37-9 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CO3 |
Product Overview
A3099/0131187 (CAS 681838-37-9), with molecular formula C14H14N6O2S2 and molecular weight 362.06 g/mol. IUPAC: 2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of A3099/0131187
Property Insights of A3099/0131187
The XLogP value of 2.61482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3099/0131187. The TPSA of 98.73 Ų falls within the moderate polarity range, balancing permeability and solubility for A3099/0131187. Following Lipinski's Rule of Five, A3099/0131187 has 1 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 A3099/0131187?
The CAS number of A3099/0131187 is 681838-37-9.
What is the molecular formula of A3099/0131187?
The molecular formula of A3099/0131187 is C14H14N6O2S2.
What is the molecular weight of A3099/0131187?
The molecular weight of A3099/0131187 is 362.06 g/mol.
Where can I buy A3099/0131187?
You can request a quote for A3099/0131187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3099/0131187?
Yes, KEHONG BIO provides custom synthesis services for A3099/0131187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.