AS-871/13518335
TL;DR: AS-871/13518335 (CAS 307325-85-5) is a chemical compound with molecular formula C21H20BrN3O3S and molecular weight 473.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-bromophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
Also Known As: AS-871/13518335, 2-({4-allyl-5-[(4-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone, 2-({4-allyl-5-[(4-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}thio)-1-(4-methoxyphenyl)ethanone, 2-[[5-[(4-bromophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone, 2-({5-[(4-BROMOPHENOXY)METHYL]-4-(PROP-2-EN-1-YL)-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-1-(4-METHOXYPHENYL)ETHAN-1-ONE
| Molecular Formula | C21H20BrN3O3S |
|---|---|
| Molecular Weight | 473.04 g/mol |
| LogP | 4.7892 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 473.0409 |
| Heavy Atoms | 29 |
| Complexity | 971.8413 |
Chemical Identifiers
| CAS Number | 307325-85-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Br |
Product Overview
AS-871/13518335 (CAS 307325-85-5), with molecular formula C21H20BrN3O3S and molecular weight 473.04 g/mol. IUPAC: 2-[[5-[(4-bromophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of AS-871/13518335
Property Insights of AS-871/13518335
The XLogP value of 4.7892 indicates that AS-871/13518335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/13518335. Following Lipinski's Rule of Five, AS-871/13518335 has 0 hydrogen bond donor(s) and 6 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 AS-871/13518335?
The CAS number of AS-871/13518335 is 307325-85-5.
What is the molecular formula of AS-871/13518335?
The molecular formula of AS-871/13518335 is C21H20BrN3O3S.
What is the molecular weight of AS-871/13518335?
The molecular weight of AS-871/13518335 is 473.04 g/mol.
Where can I buy AS-871/13518335?
You can request a quote for AS-871/13518335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/13518335?
Yes, KEHONG BIO provides custom synthesis services for AS-871/13518335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.