BAS 01176899
TL;DR: BAS 01176899 (CAS 330180-63-7) is a chemical compound with molecular formula C21H22N2OS2 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(2,4-dimethylphenyl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: BAS 01176899, AJ-292/12929029, 10-[(2,4-Dimethylphenyl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 3-[(2,4-dimethylphenyl)methylsulfanyl]-2-prop-2-enyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one, 3-allyl-2-[(2,4-dimethylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H22N2OS2 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 5.04184 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.11737 |
| Heavy Atoms | 26 |
| Complexity | 1062.0388 |
Chemical Identifiers
| CAS Number | 330180-63-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C)C |
Product Overview
BAS 01176899 (CAS 330180-63-7), with molecular formula C21H22N2OS2 and molecular weight 382.12 g/mol. IUPAC: 10-[(2,4-dimethylphenyl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of BAS 01176899
Property Insights of BAS 01176899
The XLogP value of 5.04184 indicates that BAS 01176899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, BAS 01176899 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01176899 has 0 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 01176899?
The CAS number of BAS 01176899 is 330180-63-7.
What is the molecular formula of BAS 01176899?
The molecular formula of BAS 01176899 is C21H22N2OS2.
What is the molecular weight of BAS 01176899?
The molecular weight of BAS 01176899 is 382.12 g/mol.
Where can I buy BAS 01176899?
You can request a quote for BAS 01176899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01176899?
Yes, KEHONG BIO provides custom synthesis services for BAS 01176899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.