BAS 02287666
TL;DR: BAS 02287666 (CAS 351004-69-8) is a chemical compound with molecular formula C19H18N4O2S2 and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(4-methoxyphenyl)-12-sulfanylidene-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),14-trien-17-one
Also Known As: BAS 02287666, AE-848/15341052, 1-mercapto-4-(4-methoxyphenyl)-7,8,9,10-tetrahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one, 4-(4-methoxyphenyl)-1-sulfanyl-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 16-(4-Methoxyphenyl)-12-sulfanylidene-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),14-trien-17-one
| Molecular Formula | C19H18N4O2S2 |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 4.03499 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.08713 |
| Heavy Atoms | 27 |
| Complexity | 1277.7583 |
Chemical Identifiers
| CAS Number | 351004-69-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CCCCC5 |
Product Overview
BAS 02287666 (CAS 351004-69-8), with molecular formula C19H18N4O2S2 and molecular weight 398.09 g/mol. IUPAC: 16-(4-methoxyphenyl)-12-sulfanylidene-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),14-trien-17-one.
Chemical Property Profile of BAS 02287666
Property Insights of BAS 02287666
The XLogP value of 4.03499 indicates that BAS 02287666 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02287666. Following Lipinski's Rule of Five, BAS 02287666 has 1 hydrogen bond donor(s) and 5 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 02287666?
The CAS number of BAS 02287666 is 351004-69-8.
What is the molecular formula of BAS 02287666?
The molecular formula of BAS 02287666 is C19H18N4O2S2.
What is the molecular weight of BAS 02287666?
The molecular weight of BAS 02287666 is 398.09 g/mol.
Where can I buy BAS 02287666?
You can request a quote for BAS 02287666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02287666?
Yes, KEHONG BIO provides custom synthesis services for BAS 02287666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.