BAS 00524704
TL;DR: BAS 00524704 (CAS 5920-21-8) is a chemical compound with molecular formula C18H23N3O3S and molecular weight 361.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
Also Known As: BAS 00524704, tert-butyl 2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate, tert-Butyl 2-([(6-methyl-1,3-benzothiazol-2-yl)amino]carbonyl)-1-pyrrolidinecarboxylate #, Pyrrolidine-1-carboxylic acid, 2-(6-methyl-2-benzothiazolyl)aminocarbonyl-, tert-butyl ester
| Molecular Formula | C18H23N3O3S |
|---|---|
| Molecular Weight | 361.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.14603 |
| Heavy Atoms | 25 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 5920-21-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3C(=O)OC(C)(C)C |
| InChIKey | OOXGPUOQOTWUAC-UHFFFAOYSA-N |
Product Overview
BAS 00524704 (CAS 5920-21-8), with molecular formula C18H23N3O3S and molecular weight 361.15 g/mol. IUPAC: tert-butyl 2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate.
Chemical Property Profile of BAS 00524704
Property Insights of BAS 00524704
The XLogP value of 3.7 indicates that BAS 00524704 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00524704. Following Lipinski's Rule of Five, BAS 00524704 has 1 hydrogen bond donor(s) and 5 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 BAS 00524704?
The CAS number of BAS 00524704 is 5920-21-8.
What is the molecular formula of BAS 00524704?
The molecular formula of BAS 00524704 is C18H23N3O3S.
What is the molecular weight of BAS 00524704?
The molecular weight of BAS 00524704 is 361.15 g/mol.
Where can I buy BAS 00524704?
You can request a quote for BAS 00524704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00524704?
Yes, KEHONG BIO provides custom synthesis services for BAS 00524704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.