AP-970/42784392
TL;DR: AP-970/42784392 (CAS 774552-97-5) is a chemical compound with molecular formula C19H22BrN5O2S and molecular weight 463.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
Also Known As: AP-970/42784392, N-[4-(benzyloxy)-3-bromo-5-methoxybenzyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine, N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine, (4-Benzyloxy-3-bromo-5-methoxy-benzyl)-[2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-ethyl]-amine, {[4-(BENZYLOXY)-3-BROMO-5-METHOXYPHENYL]METHYL}({2-[(1-METHYL-1H-1,2,3,4-TETRAZOL-5-YL)SULFANYL]ETHYL})AMINE
| Molecular Formula | C19H22BrN5O2S |
|---|---|
| Molecular Weight | 463.07 g/mol |
| LogP | 3.4421 |
| Topological Polar Surface Area | 74.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 463.06775 |
| Heavy Atoms | 28 |
| Complexity | 891.2854 |
Chemical Identifiers
| CAS Number | 774552-97-5 |
|---|---|
| SMILES | CN1C(=NN=N1)SCCNCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC |
Product Overview
AP-970/42784392 (CAS 774552-97-5), with molecular formula C19H22BrN5O2S and molecular weight 463.07 g/mol. IUPAC: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine.
Chemical Property Profile of AP-970/42784392
Property Insights of AP-970/42784392
The XLogP value of 3.4421 indicates that AP-970/42784392 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-970/42784392. Following Lipinski's Rule of Five, AP-970/42784392 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 AP-970/42784392?
The CAS number of AP-970/42784392 is 774552-97-5.
What is the molecular formula of AP-970/42784392?
The molecular formula of AP-970/42784392 is C19H22BrN5O2S.
What is the molecular weight of AP-970/42784392?
The molecular weight of AP-970/42784392 is 463.07 g/mol.
Where can I buy AP-970/42784392?
You can request a quote for AP-970/42784392 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42784392?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42784392 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.