AB00109125-01
TL;DR: AB00109125-01 (CAS 374922-88-0) is a chemical compound with molecular formula C10H12N4O3S and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate
Also Known As: AB00109125-01, methyl 5-(((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate, methyl 5-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-carboxylate, methyl 5-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate, methyl 5-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate
| Molecular Formula | C10H12N4O3S |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.06302 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 374922-88-0 |
|---|---|
| SMILES | CC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)OC |
| InChIKey | NQIFHIVMCJEYSN-UHFFFAOYSA-N |
Product Overview
AB00109125-01 (CAS 374922-88-0), with molecular formula C10H12N4O3S and molecular weight 268.06 g/mol. IUPAC: methyl 5-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of AB00109125-01
Property Insights of AB00109125-01
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00109125-01. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00109125-01. Following Lipinski's Rule of Five, AB00109125-01 has 1 hydrogen bond donor(s) and 7 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 AB00109125-01?
The CAS number of AB00109125-01 is 374922-88-0.
What is the molecular formula of AB00109125-01?
The molecular formula of AB00109125-01 is C10H12N4O3S.
What is the molecular weight of AB00109125-01?
The molecular weight of AB00109125-01 is 268.06 g/mol.
Where can I buy AB00109125-01?
You can request a quote for AB00109125-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00109125-01?
Yes, KEHONG BIO provides custom synthesis services for AB00109125-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.