AB00672451-01
TL;DR: AB00672451-01 (CAS 6190-66-5) is a chemical compound with molecular formula C15H15N7O3S2 and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: AB00672451-01, F0748-0567, 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide, 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide, 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)butanamide
| Molecular Formula | C15H15N7O3S2 |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 2.7512 |
| Topological Polar Surface Area | 128.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.06778 |
| Heavy Atoms | 27 |
| Complexity | 971.7386 |
Chemical Identifiers
| CAS Number | 6190-66-5 |
|---|---|
| SMILES | CCC(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=NN=CN3C |
Product Overview
AB00672451-01 (CAS 6190-66-5), with molecular formula C15H15N7O3S2 and molecular weight 405.07 g/mol. IUPAC: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide.
Chemical Property Profile of AB00672451-01
Property Insights of AB00672451-01
The XLogP value of 2.7512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00672451-01. The TPSA of 128.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672451-01. Following Lipinski's Rule of Five, AB00672451-01 has 1 hydrogen bond donor(s) and 9 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 AB00672451-01?
The CAS number of AB00672451-01 is 6190-66-5.
What is the molecular formula of AB00672451-01?
The molecular formula of AB00672451-01 is C15H15N7O3S2.
What is the molecular weight of AB00672451-01?
The molecular weight of AB00672451-01 is 405.07 g/mol.
Where can I buy AB00672451-01?
You can request a quote for AB00672451-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672451-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672451-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.