3T-0857
TL;DR: 3T-0857 (CAS 956977-32-5) is a chemical compound with molecular formula C26H21ClN4O2S2 and molecular weight 520.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)pyrazol-5-amine
Also Known As: 3T-0857, 1-[5-[(4-chlorophenyl)sulfanyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1H-pyrazol-5-amine, 1-{5-[(4-chlorophenyl)sulfanyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-yl}-4-(4-methoxyphenyl)-1H-pyrazol-5-amine, 2-[5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)pyrazol-3-amine, 2-{5-[(4-chlorophenyl)sulfanyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-yl}-4-(4-methoxyphenyl)pyrazol-3-amine
| Molecular Formula | C26H21ClN4O2S2 |
|---|---|
| Molecular Weight | 520.08 g/mol |
| LogP | 7.0668 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.07947 |
| Heavy Atoms | 35 |
| Complexity | 1446.7582 |
Chemical Identifiers
| CAS Number | 956977-32-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(N(N=C2)C3=NC(=C(S3)SC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)OC)N |
Product Overview
3T-0857 (CAS 956977-32-5), with molecular formula C26H21ClN4O2S2 and molecular weight 520.08 g/mol. IUPAC: 1-[5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)pyrazol-5-amine.
Chemical Property Profile of 3T-0857
Property Insights of 3T-0857
The XLogP value of 7.0668 indicates that 3T-0857 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3T-0857. Following Lipinski's Rule of Five, 3T-0857 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3T-0857?
The CAS number of 3T-0857 is 956977-32-5.
What is the molecular formula of 3T-0857?
The molecular formula of 3T-0857 is C26H21ClN4O2S2.
What is the molecular weight of 3T-0857?
The molecular weight of 3T-0857 is 520.08 g/mol.
Where can I buy 3T-0857?
You can request a quote for 3T-0857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3T-0857?
Yes, KEHONG BIO provides custom synthesis services for 3T-0857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.