BAS 02287699
TL;DR: BAS 02287699 (CAS 351005-25-9) is a chemical compound with molecular formula C21H21N5O3S2 and molecular weight 455.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[16-(4-methoxyphenyl)-17-oxo-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-12-yl]sulfanyl]acetamide
Also Known As: BAS 02287699, 2-((4-(4-methoxyphenyl)-5-oxo-5,6,7,8,9,10-hexahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide, 2-[2-(4-methoxyphenyl)-1-oxo-2,6,8,9,10,11,12-heptahydrocyclohepta[1,2-d]1,2,4 -triazolo[3',4'-2,3]pyrimidino[4,5-b]thiophen-5-ylthio]acetamide, 2-{[4-(4-methoxyphenyl)-5-oxo-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
| Molecular Formula | C21H21N5O3S2 |
|---|---|
| Molecular Weight | 455.11 g/mol |
| LogP | 2.9498 |
| Topological Polar Surface Area | 104.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.10858 |
| Heavy Atoms | 31 |
| Complexity | 1353.8516 |
Chemical Identifiers
| CAS Number | 351005-25-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)N)SC5=C3CCCCC5 |
Product Overview
BAS 02287699 (CAS 351005-25-9), with molecular formula C21H21N5O3S2 and molecular weight 455.11 g/mol. IUPAC: 2-[[16-(4-methoxyphenyl)-17-oxo-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-12-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02287699
Property Insights of BAS 02287699
The XLogP value of 2.9498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02287699. The TPSA of 104.51 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02287699. Following Lipinski's Rule of Five, BAS 02287699 has 1 hydrogen bond donor(s) and 7 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 02287699?
The CAS number of BAS 02287699 is 351005-25-9.
What is the molecular formula of BAS 02287699?
The molecular formula of BAS 02287699 is C21H21N5O3S2.
What is the molecular weight of BAS 02287699?
The molecular weight of BAS 02287699 is 455.11 g/mol.
Where can I buy BAS 02287699?
You can request a quote for BAS 02287699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02287699?
Yes, KEHONG BIO provides custom synthesis services for BAS 02287699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.