BAS 01176762
TL;DR: BAS 01176762 (CAS 330827-89-9) is a chemical compound with molecular formula C21H25N3S2 and molecular weight 383.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Also Known As: BAS 01176762, AJ-292/13047028, 2-(benzylsulfanyl)-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, 2-(benzylthio)-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine, 2-benzylsulfanyl-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
| Molecular Formula | C21H25N3S2 |
|---|---|
| Molecular Weight | 383.15 g/mol |
| LogP | 5.7168 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.149 |
| Heavy Atoms | 26 |
| Complexity | 925.81946 |
Chemical Identifiers
| CAS Number | 330827-89-9 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=NC(=NC(=C23)N)SCC4=CC=CC=C4 |
Product Overview
BAS 01176762 (CAS 330827-89-9), with molecular formula C21H25N3S2 and molecular weight 383.15 g/mol. IUPAC: 2-benzylsulfanyl-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
Chemical Property Profile of BAS 01176762
Property Insights of BAS 01176762
The XLogP value of 5.7168 indicates that BAS 01176762 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, BAS 01176762 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01176762 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01176762?
The CAS number of BAS 01176762 is 330827-89-9.
What is the molecular formula of BAS 01176762?
The molecular formula of BAS 01176762 is C21H25N3S2.
What is the molecular weight of BAS 01176762?
The molecular weight of BAS 01176762 is 383.15 g/mol.
Where can I buy BAS 01176762?
You can request a quote for BAS 01176762 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01176762?
Yes, KEHONG BIO provides custom synthesis services for BAS 01176762 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.