F0816-0535
TL;DR: F0816-0535 (CAS 397289-51-9) is a chemical compound with molecular formula C27H30N2O5S2 and molecular weight 526.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-1-benzothiophene-2-carboxylate
Also Known As: F0816-0535, methyl 3-(4-((1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl)benzamido)benzo[b]thiophene-2-carboxylate, methyl 3-[4-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}sulfonyl)benzamido]-1-benzothiophene-2-carboxylate, methyl 3-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-1-benzothiophene-2-carboxylate, methyl 3-[[4-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoyl]amino]-1-benzothiophene-2-carboxylate
| Molecular Formula | C27H30N2O5S2 |
|---|---|
| Molecular Weight | 526.16 g/mol |
| LogP | 5.5295 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 526.1596 |
| Heavy Atoms | 36 |
| Complexity | 1459.0554 |
Chemical Identifiers
| CAS Number | 397289-51-9 |
|---|---|
| SMILES | CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(SC5=CC=CC=C54)C(=O)OC)C)C |
Product Overview
F0816-0535 (CAS 397289-51-9), with molecular formula C27H30N2O5S2 and molecular weight 526.16 g/mol. IUPAC: methyl 3-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of F0816-0535
Property Insights of F0816-0535
The XLogP value of 5.5295 indicates that F0816-0535 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for F0816-0535. Following Lipinski's Rule of Five, F0816-0535 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 F0816-0535?
The CAS number of F0816-0535 is 397289-51-9.
What is the molecular formula of F0816-0535?
The molecular formula of F0816-0535 is C27H30N2O5S2.
What is the molecular weight of F0816-0535?
The molecular weight of F0816-0535 is 526.16 g/mol.
Where can I buy F0816-0535?
You can request a quote for F0816-0535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0816-0535?
Yes, KEHONG BIO provides custom synthesis services for F0816-0535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.