BAS 00777341
TL;DR: BAS 00777341 (CAS 313965-98-9) is a chemical compound with molecular formula C20H16ClN3O4S2 and molecular weight 461.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
Also Known As: BAS 00777341, 3-chloro-N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamide, F0170-0487, 3-chloro-N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)benzo[b]thiophene-2-carboxamide, 3-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
| Molecular Formula | C20H16ClN3O4S2 |
|---|---|
| Molecular Weight | 461.03 g/mol |
| LogP | 5.21264 |
| Topological Polar Surface Area | 101.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.02707 |
| Heavy Atoms | 30 |
| Complexity | 1358.7233 |
Chemical Identifiers
| CAS Number | 313965-98-9 |
|---|---|
| SMILES | CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
BAS 00777341 (CAS 313965-98-9), with molecular formula C20H16ClN3O4S2 and molecular weight 461.03 g/mol. IUPAC: 3-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of BAS 00777341
Property Insights of BAS 00777341
The XLogP value of 5.21264 indicates that BAS 00777341 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00777341. Following Lipinski's Rule of Five, BAS 00777341 has 2 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 00777341?
The CAS number of BAS 00777341 is 313965-98-9.
What is the molecular formula of BAS 00777341?
The molecular formula of BAS 00777341 is C20H16ClN3O4S2.
What is the molecular weight of BAS 00777341?
The molecular weight of BAS 00777341 is 461.03 g/mol.
Where can I buy BAS 00777341?
You can request a quote for BAS 00777341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00777341?
Yes, KEHONG BIO provides custom synthesis services for BAS 00777341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.