A2264/0095377
TL;DR: A2264/0095377 (CAS 299922-56-8) is a chemical compound with molecular formula C20H19F6N3O2S and molecular weight 479.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)-1-pyridinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: A2264/0095377, methyl 2-(2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, METHYL 2-[2-AMINO-3-CYANO-6-METHYL-4,4-BIS(TRIFLUOROMETHYL)-1,4-DIHYDROPYRIDIN-1-YL]-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C20H19F6N3O2S |
|---|---|
| Molecular Weight | 479.11 g/mol |
| LogP | 5.33228 |
| Topological Polar Surface Area | 79.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 479.11023 |
| Heavy Atoms | 32 |
| Complexity | 1031.4507 |
Chemical Identifiers
| CAS Number | 299922-56-8 |
|---|---|
| SMILES | CC1=CC(C(=C(N1C2=C(C3=C(S2)CCCCC3)C(=O)OC)N)C#N)(C(F)(F)F)C(F)(F)F |
Product Overview
A2264/0095377 (CAS 299922-56-8), with molecular formula C20H19F6N3O2S and molecular weight 479.11 g/mol. IUPAC: methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)-1-pyridinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of A2264/0095377
Property Insights of A2264/0095377
The XLogP value of 5.33228 indicates that A2264/0095377 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.35 Ų falls within the moderate polarity range, balancing permeability and solubility for A2264/0095377. Following Lipinski's Rule of Five, A2264/0095377 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2264/0095377?
The CAS number of A2264/0095377 is 299922-56-8.
What is the molecular formula of A2264/0095377?
The molecular formula of A2264/0095377 is C20H19F6N3O2S.
What is the molecular weight of A2264/0095377?
The molecular weight of A2264/0095377 is 479.11 g/mol.
Where can I buy A2264/0095377?
You can request a quote for A2264/0095377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2264/0095377?
Yes, KEHONG BIO provides custom synthesis services for A2264/0095377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.