A1771/0075038
TL;DR: A1771/0075038 (CAS 312282-07-8) is a chemical compound with molecular formula C21H30N4OS and molecular weight 386.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione
Also Known As: A1771/0075038, 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione, 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-[(4-CYCLOHEXYLPHENOXY)METHYL]-4-METHYL-1-[(PYRROLIDIN-1-YL)METHYL]-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE, 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(1-pyrrolidinylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C21H30N4OS |
|---|---|
| Molecular Weight | 386.21 g/mol |
| LogP | 4.63109 |
| Topological Polar Surface Area | 35.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.21402 |
| Heavy Atoms | 27 |
| Complexity | 798.57935 |
Chemical Identifiers
| CAS Number | 312282-07-8 |
|---|---|
| SMILES | CN1C(=NN(C1=S)CN2CCCC2)COC3=CC=C(C=C3)C4CCCCC4 |
Product Overview
A1771/0075038 (CAS 312282-07-8), with molecular formula C21H30N4OS and molecular weight 386.21 g/mol. IUPAC: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione.
Chemical Property Profile of A1771/0075038
Property Insights of A1771/0075038
The XLogP value of 4.63109 indicates that A1771/0075038 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.22 Ų, A1771/0075038 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1771/0075038 has 0 hydrogen bond donor(s) and 4 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 A1771/0075038?
The CAS number of A1771/0075038 is 312282-07-8.
What is the molecular formula of A1771/0075038?
The molecular formula of A1771/0075038 is C21H30N4OS.
What is the molecular weight of A1771/0075038?
The molecular weight of A1771/0075038 is 386.21 g/mol.
Where can I buy A1771/0075038?
You can request a quote for A1771/0075038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1771/0075038?
Yes, KEHONG BIO provides custom synthesis services for A1771/0075038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.