BAS 01024136
TL;DR: BAS 01024136 (CAS 327081-06-1) is a chemical compound with molecular formula C22H22N6OS2 and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12,12,14,14-tetramethyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methylsulfanyl]-1,3-benzoxazole
Also Known As: BAS 01024136, BIM-0000914.P001, 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-(((8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole, 1,3-BENZOXAZOL-2-YL [(8,8,10,10-TETRAMETHYL-8,9,10,11-TETRAHYDROPYRIDO[4',3':4,5]THIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL)METHYL] SULFIDE
| Molecular Formula | C22H22N6OS2 |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 4.9319 |
| Topological Polar Surface Area | 81.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.12964 |
| Heavy Atoms | 31 |
| Complexity | 1428.2914 |
Chemical Identifiers
| CAS Number | 327081-06-1 |
|---|---|
| SMILES | CC1(CC2=C(C(N1)(C)C)SC3=C2C4=NC(=NN4C=N3)CSC5=NC6=CC=CC=C6O5)C |
Product Overview
BAS 01024136 (CAS 327081-06-1), with molecular formula C22H22N6OS2 and molecular weight 450.13 g/mol. IUPAC: 2-[(12,12,14,14-tetramethyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methylsulfanyl]-1,3-benzoxazole.
Chemical Property Profile of BAS 01024136
Property Insights of BAS 01024136
The XLogP value of 4.9319 indicates that BAS 01024136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01024136. Following Lipinski's Rule of Five, BAS 01024136 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01024136?
The CAS number of BAS 01024136 is 327081-06-1.
What is the molecular formula of BAS 01024136?
The molecular formula of BAS 01024136 is C22H22N6OS2.
What is the molecular weight of BAS 01024136?
The molecular weight of BAS 01024136 is 450.13 g/mol.
Where can I buy BAS 01024136?
You can request a quote for BAS 01024136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01024136?
Yes, KEHONG BIO provides custom synthesis services for BAS 01024136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.