BAS 00332498
TL;DR: BAS 00332498 (CAS 330634-63-4) is a chemical compound with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxamide
Also Known As: BAS 00332498, A0838/0039283, N-tert-butyl-2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxamide, N-(tert-butyl)-2-[4-({4-nitrophenyl}sulfanyl)phenyl]-1,3-dioxo-5-isoindolinecarboxamide, N-tert-butyl-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
| Molecular Formula | C25H21N3O5S |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 5.0749 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.12018 |
| Heavy Atoms | 34 |
| Complexity | 1311.8729 |
Chemical Identifiers
| CAS Number | 330634-63-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 00332498 (CAS 330634-63-4), with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol. IUPAC: N-tert-butyl-2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxamide.
Chemical Property Profile of BAS 00332498
Property Insights of BAS 00332498
The XLogP value of 5.0749 indicates that BAS 00332498 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00332498. Following Lipinski's Rule of Five, BAS 00332498 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 00332498?
The CAS number of BAS 00332498 is 330634-63-4.
What is the molecular formula of BAS 00332498?
The molecular formula of BAS 00332498 is C25H21N3O5S.
What is the molecular weight of BAS 00332498?
The molecular weight of BAS 00332498 is 475.12 g/mol.
Where can I buy BAS 00332498?
You can request a quote for BAS 00332498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00332498?
Yes, KEHONG BIO provides custom synthesis services for BAS 00332498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.