BAS 04933361
TL;DR: BAS 04933361 (CAS 540513-03-9) is a chemical compound with molecular formula C26H28N4O2S and molecular weight 460.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]phenyl]adamantane-1-carboxamide
Also Known As: BAS 04933361, N-[3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]phenyl]adamantane-1-carboxamide, N-(3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C26H28N4O2S |
|---|---|
| Molecular Weight | 460.19 g/mol |
| LogP | 5.4486 |
| Topological Polar Surface Area | 86.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.1933 |
| Heavy Atoms | 33 |
| Complexity | 1151.4479 |
Chemical Identifiers
| CAS Number | 540513-03-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC(=C4)NC(=O)CSC5=NC6=CC=CC=C6N5 |
Product Overview
BAS 04933361 (CAS 540513-03-9), with molecular formula C26H28N4O2S and molecular weight 460.19 g/mol. IUPAC: N-[3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]phenyl]adamantane-1-carboxamide.
Chemical Property Profile of BAS 04933361
Property Insights of BAS 04933361
The XLogP value of 5.4486 indicates that BAS 04933361 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04933361. Following Lipinski's Rule of Five, BAS 04933361 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 04933361?
The CAS number of BAS 04933361 is 540513-03-9.
What is the molecular formula of BAS 04933361?
The molecular formula of BAS 04933361 is C26H28N4O2S.
What is the molecular weight of BAS 04933361?
The molecular weight of BAS 04933361 is 460.19 g/mol.
Where can I buy BAS 04933361?
You can request a quote for BAS 04933361 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04933361?
Yes, KEHONG BIO provides custom synthesis services for BAS 04933361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.