A3213/0136280
TL;DR: A3213/0136280 (CAS 524716-50-5) is a chemical compound with molecular formula C16H13F6N3O2S and molecular weight 425.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(benzylcarbamoylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]thiophene-2-carboxamide
Also Known As: A3213/0136280, N-(2-(3-benzylureido)-1,1,1,3,3,3-hexafluoropropan-2-yl)thiophene-2-carboxamide, N-[2-(benzylcarbamoylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]thiophene-2-carboxamide, N-{2-[(benzylcarbamoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}thiophene-2-carboxamide
| Molecular Formula | C16H13F6N3O2S |
|---|---|
| Molecular Weight | 425.06 g/mol |
| LogP | 3.7982 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.06326 |
| Heavy Atoms | 28 |
| Complexity | 792.0322 |
Chemical Identifiers
| CAS Number | 524716-50-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CC=CS2 |
Product Overview
A3213/0136280 (CAS 524716-50-5), with molecular formula C16H13F6N3O2S and molecular weight 425.06 g/mol. IUPAC: N-[2-(benzylcarbamoylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]thiophene-2-carboxamide.
Chemical Property Profile of A3213/0136280
Property Insights of A3213/0136280
The XLogP value of 3.7982 indicates that A3213/0136280 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for A3213/0136280. Following Lipinski's Rule of Five, A3213/0136280 has 3 hydrogen bond donor(s) and 3 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 A3213/0136280?
The CAS number of A3213/0136280 is 524716-50-5.
What is the molecular formula of A3213/0136280?
The molecular formula of A3213/0136280 is C16H13F6N3O2S.
What is the molecular weight of A3213/0136280?
The molecular weight of A3213/0136280 is 425.06 g/mol.
Where can I buy A3213/0136280?
You can request a quote for A3213/0136280 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3213/0136280?
Yes, KEHONG BIO provides custom synthesis services for A3213/0136280 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.