AN-989/40660225
TL;DR: AN-989/40660225 (CAS 473827-77-9) is a chemical compound with molecular formula C19H18FN5O3S and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[[2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
Also Known As: AN-989/40660225, A3058/0129184, propan-2-yl 4-[({[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate, propan-2-yl 4-[[2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate, isopropyl 4-(2-((1-(2-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoate
| Molecular Formula | C19H18FN5O3S |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 3.0974 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.11145 |
| Heavy Atoms | 29 |
| Complexity | 1007.08905 |
Chemical Identifiers
| CAS Number | 473827-77-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3F |
Product Overview
AN-989/40660225 (CAS 473827-77-9), with molecular formula C19H18FN5O3S and molecular weight 415.11 g/mol. IUPAC: propan-2-yl 4-[[2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of AN-989/40660225
Property Insights of AN-989/40660225
The XLogP value of 3.0974 indicates that AN-989/40660225 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40660225. Following Lipinski's Rule of Five, AN-989/40660225 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 AN-989/40660225?
The CAS number of AN-989/40660225 is 473827-77-9.
What is the molecular formula of AN-989/40660225?
The molecular formula of AN-989/40660225 is C19H18FN5O3S.
What is the molecular weight of AN-989/40660225?
The molecular weight of AN-989/40660225 is 415.11 g/mol.
Where can I buy AN-989/40660225?
You can request a quote for AN-989/40660225 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40660225?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40660225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.