BAS 01176888
TL;DR: BAS 01176888 (CAS 327171-01-7) is a chemical compound with molecular formula C22H26N2O2S2 and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-5-pentylsulfanyl-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: BAS 01176888, AJ-292/12929018, 6,6-dimethyl-2-(pentylsulfanyl)-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 6,6-dimethyl-2-pentylsulfanyl-3-phenyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one, 12,12-Dimethyl-5-pentylsulfanyl-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C22H26N2O2S2 |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 5.5808 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.1436 |
| Heavy Atoms | 28 |
| Complexity | 1038.1117 |
Chemical Identifiers
| CAS Number | 327171-01-7 |
|---|---|
| SMILES | CCCCCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1C4=CC=CC=C4 |
Product Overview
BAS 01176888 (CAS 327171-01-7), with molecular formula C22H26N2O2S2 and molecular weight 414.14 g/mol. IUPAC: 12,12-dimethyl-5-pentylsulfanyl-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of BAS 01176888
Property Insights of BAS 01176888
The XLogP value of 5.5808 indicates that BAS 01176888 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, BAS 01176888 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01176888 has 0 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 01176888?
The CAS number of BAS 01176888 is 327171-01-7.
What is the molecular formula of BAS 01176888?
The molecular formula of BAS 01176888 is C22H26N2O2S2.
What is the molecular weight of BAS 01176888?
The molecular weight of BAS 01176888 is 414.14 g/mol.
Where can I buy BAS 01176888?
You can request a quote for BAS 01176888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01176888?
Yes, KEHONG BIO provides custom synthesis services for BAS 01176888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.