AB00429429-06
TL;DR: AB00429429-06 (CAS 863004-86-8) is a chemical compound with molecular formula C21H17FN2O3S and molecular weight 396.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-2-[2-(furan-2-yl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
Also Known As: AB00429429-06, F0670-0587, N-(2-fluorophenyl)-2-(2-(furan-2-yl)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetamide, N-(2-fluorophenyl)-2-[2-(furan-2-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide, N-(2-fluorophenyl)-2-[2-(furan-2-yl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
| Molecular Formula | C21H17FN2O3S |
|---|---|
| Molecular Weight | 396.09 g/mol |
| LogP | 4.6275 |
| Topological Polar Surface Area | 62.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.0944 |
| Heavy Atoms | 28 |
| Complexity | 1006.4 |
Chemical Identifiers
| CAS Number | 863004-86-8 |
|---|---|
| SMILES | C1C(SC2=CC=CC=C2N(C1=O)CC(=O)NC3=CC=CC=C3F)C4=CC=CO4 |
Product Overview
AB00429429-06 (CAS 863004-86-8), with molecular formula C21H17FN2O3S and molecular weight 396.09 g/mol. IUPAC: N-(2-fluorophenyl)-2-[2-(furan-2-yl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide.
Chemical Property Profile of AB00429429-06
Property Insights of AB00429429-06
The XLogP value of 4.6275 indicates that AB00429429-06 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00429429-06. Following Lipinski's Rule of Five, AB00429429-06 has 1 hydrogen bond donor(s) and 4 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 AB00429429-06?
The CAS number of AB00429429-06 is 863004-86-8.
What is the molecular formula of AB00429429-06?
The molecular formula of AB00429429-06 is C21H17FN2O3S.
What is the molecular weight of AB00429429-06?
The molecular weight of AB00429429-06 is 396.09 g/mol.
Where can I buy AB00429429-06?
You can request a quote for AB00429429-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00429429-06?
Yes, KEHONG BIO provides custom synthesis services for AB00429429-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.