AB00672486-01
TL;DR: AB00672486-01 (CAS 310450-71-6) is a chemical compound with molecular formula C21H21N7O5S2 and molecular weight 515.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(2,5-dimethoxyphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: AB00672486-01, F0772-2505, N-{[4-(2,5-dimethoxyphenyl)-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide, N-((4-(2,5-dimethoxyphenyl)-5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)furan-2-carboxamide, N-[[4-(2,5-dimethoxyphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
| Molecular Formula | C21H21N7O5S2 |
|---|---|
| Molecular Weight | 515.10 g/mol |
| LogP | 2.69822 |
| Topological Polar Surface Area | 146.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 515.10455 |
| Heavy Atoms | 35 |
| Complexity | 1319.5797 |
Chemical Identifiers
| CAS Number | 310450-71-6 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=C(C=CC(=C3)OC)OC)CNC(=O)C4=CC=CO4 |
Product Overview
AB00672486-01 (CAS 310450-71-6), with molecular formula C21H21N7O5S2 and molecular weight 515.10 g/mol. IUPAC: N-[[4-(2,5-dimethoxyphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.
Chemical Property Profile of AB00672486-01
Property Insights of AB00672486-01
The XLogP value of 2.69822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00672486-01. The TPSA of 146.29 Ų indicates high polarity, suggesting AB00672486-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00672486-01 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00672486-01?
The CAS number of AB00672486-01 is 310450-71-6.
What is the molecular formula of AB00672486-01?
The molecular formula of AB00672486-01 is C21H21N7O5S2.
What is the molecular weight of AB00672486-01?
The molecular weight of AB00672486-01 is 515.10 g/mol.
Where can I buy AB00672486-01?
You can request a quote for AB00672486-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672486-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672486-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.