BAS 00822788
TL;DR: BAS 00822788 (CAS 313260-91-2) is a chemical compound with molecular formula C20H20BrN3O4S2 and molecular weight 509.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylsulfonylbenzamide
Also Known As: BAS 00822788, 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylsulfonylbenzamide, A1130/0052822, 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(morpholin-4-ylsulfonyl)benzamide, 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(4-morpholinylsulfonyl)benzamide
| Molecular Formula | C20H20BrN3O4S2 |
|---|---|
| Molecular Weight | 509.01 g/mol |
| LogP | 3.53428 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.00787 |
| Heavy Atoms | 30 |
| Complexity | 1131.6509 |
Chemical Identifiers
| CAS Number | 313260-91-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N4CCOCC4)C#N |
Product Overview
BAS 00822788 (CAS 313260-91-2), with molecular formula C20H20BrN3O4S2 and molecular weight 509.01 g/mol. IUPAC: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylsulfonylbenzamide.
Chemical Property Profile of BAS 00822788
Property Insights of BAS 00822788
The XLogP value of 3.53428 indicates that BAS 00822788 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00822788. Following Lipinski's Rule of Five, BAS 00822788 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 BAS 00822788?
The CAS number of BAS 00822788 is 313260-91-2.
What is the molecular formula of BAS 00822788?
The molecular formula of BAS 00822788 is C20H20BrN3O4S2.
What is the molecular weight of BAS 00822788?
The molecular weight of BAS 00822788 is 509.01 g/mol.
Where can I buy BAS 00822788?
You can request a quote for BAS 00822788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00822788?
Yes, KEHONG BIO provides custom synthesis services for BAS 00822788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.