AB00686474-01
TL;DR: AB00686474-01 (CAS 690642-90-1) is a chemical compound with molecular formula C21H26N6O3S2 and molecular weight 474.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Also Known As: AB00686474-01, F1748-0005, 2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide, 2-((4-allyl-5-((2-aminothiazol-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-dimethoxyphenethyl)acetamide, 2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
| Molecular Formula | C21H26N6O3S2 |
|---|---|
| Molecular Weight | 474.15 g/mol |
| LogP | 2.5618 |
| Topological Polar Surface Area | 117.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 474.1508 |
| Heavy Atoms | 32 |
| Complexity | 1065.7399 |
Chemical Identifiers
| CAS Number | 690642-90-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(N2CC=C)CC3=CSC(=N3)N)OC |
Product Overview
AB00686474-01 (CAS 690642-90-1), with molecular formula C21H26N6O3S2 and molecular weight 474.15 g/mol. IUPAC: 2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
Chemical Property Profile of AB00686474-01
Property Insights of AB00686474-01
The XLogP value of 2.5618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686474-01. The TPSA of 117.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686474-01. Following Lipinski's Rule of Five, AB00686474-01 has 2 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 AB00686474-01?
The CAS number of AB00686474-01 is 690642-90-1.
What is the molecular formula of AB00686474-01?
The molecular formula of AB00686474-01 is C21H26N6O3S2.
What is the molecular weight of AB00686474-01?
The molecular weight of AB00686474-01 is 474.15 g/mol.
Where can I buy AB00686474-01?
You can request a quote for AB00686474-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686474-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686474-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.