A3208/0136045
TL;DR: A3208/0136045 (CAS 524717-00-8) is a chemical compound with molecular formula C22H22F6N2O3S and molecular weight 508.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1,1,1,3,3,3-hexafluoro-2-[(2-phenylacetyl)amino]propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: A3208/0136045, methyl 2-((1,1,1,3,3,3-hexafluoro-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-({1,1,1,3,3,3-hexafluoro-2-[(phenylacetyl)amino]propan-2-yl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-[[1,1,1,3,3,3-hexafluoro-2-[(2-phenylacetyl)amino]propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, METHYL 2-{[2,2,2-TRIFLUORO-1-[(2-PHENYLACETYL)AMINO]-1-(TRIFLUOROMETHYL)ETHYL]AMINO}-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C22H22F6N2O3S |
|---|---|
| Molecular Weight | 508.13 g/mol |
| LogP | 5.3953 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.12552 |
| Heavy Atoms | 34 |
| Complexity | 1019.74133 |
Chemical Identifiers
| CAS Number | 524717-00-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)CC3=CC=CC=C3 |
Product Overview
A3208/0136045 (CAS 524717-00-8), with molecular formula C22H22F6N2O3S and molecular weight 508.13 g/mol. IUPAC: methyl 2-[[1,1,1,3,3,3-hexafluoro-2-[(2-phenylacetyl)amino]propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of A3208/0136045
Property Insights of A3208/0136045
The XLogP value of 5.3953 indicates that A3208/0136045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for A3208/0136045. Following Lipinski's Rule of Five, A3208/0136045 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3208/0136045?
The CAS number of A3208/0136045 is 524717-00-8.
What is the molecular formula of A3208/0136045?
The molecular formula of A3208/0136045 is C22H22F6N2O3S.
What is the molecular weight of A3208/0136045?
The molecular weight of A3208/0136045 is 508.13 g/mol.
Where can I buy A3208/0136045?
You can request a quote for A3208/0136045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3208/0136045?
Yes, KEHONG BIO provides custom synthesis services for A3208/0136045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.