BAS 00898981
TL;DR: BAS 00898981 (CAS 130506-75-1) is a chemical compound with molecular formula C19H18N2OS and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-phenylmethanone
Also Known As: BAS 00898981, (3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl)(phenyl)methanone, 5-benzoyl-4-thia-2-azatricyclo[7.5.0.0^{3,7}]tetradeca-1,3(7),5,8-tetraen-6-amine, (6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-phenylmethanone, (3-AMINO-6,7,8,9-4H-5H-1-THIA-10-AZA-CYCLOHEPTA[F]INDEN-2-YL)-PHENYL-METHANONE
| Molecular Formula | C19H18N2OS |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 4.3784 |
| Topological Polar Surface Area | 55.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.11398 |
| Heavy Atoms | 23 |
| Complexity | 883.27106 |
Chemical Identifiers
| CAS Number | 130506-75-1 |
|---|---|
| SMILES | C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)C4=CC=CC=C4 |
Product Overview
BAS 00898981 (CAS 130506-75-1), with molecular formula C19H18N2OS and molecular weight 322.11 g/mol. IUPAC: (6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-phenylmethanone.
Chemical Property Profile of BAS 00898981
Property Insights of BAS 00898981
The XLogP value of 4.3784 indicates that BAS 00898981 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.98 Ų, BAS 00898981 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00898981 has 1 hydrogen bond donor(s) and 4 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 00898981?
The CAS number of BAS 00898981 is 130506-75-1.
What is the molecular formula of BAS 00898981?
The molecular formula of BAS 00898981 is C19H18N2OS.
What is the molecular weight of BAS 00898981?
The molecular weight of BAS 00898981 is 322.11 g/mol.
Where can I buy BAS 00898981?
You can request a quote for BAS 00898981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00898981?
Yes, KEHONG BIO provides custom synthesis services for BAS 00898981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.