BAS 00287720
TL;DR: BAS 00287720 (CAS 121386-99-0) is a chemical compound with molecular formula C18H13NO3 and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Also Known As: BAS 00287720, 17-hydroxy-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione, 17-hydroxy-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione, 17-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione, 17-hydroxy-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
| Molecular Formula | C18H13NO3 |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 2.2678 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 291.08954 |
| Heavy Atoms | 22 |
| Complexity | 728.23083 |
Chemical Identifiers
| CAS Number | 121386-99-0 |
|---|---|
| SMILES | C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)O |
Product Overview
BAS 00287720 (CAS 121386-99-0), with molecular formula C18H13NO3 and molecular weight 291.09 g/mol. IUPAC: 17-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
Chemical Property Profile of BAS 00287720
Property Insights of BAS 00287720
The XLogP value of 2.2678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00287720. With a topological polar surface area (TPSA) of 57.61 Ų, BAS 00287720 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00287720 has 1 hydrogen bond donor(s) and 3 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 00287720?
The CAS number of BAS 00287720 is 121386-99-0.
What is the molecular formula of BAS 00287720?
The molecular formula of BAS 00287720 is C18H13NO3.
What is the molecular weight of BAS 00287720?
The molecular weight of BAS 00287720 is 291.09 g/mol.
Where can I buy BAS 00287720?
You can request a quote for BAS 00287720 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00287720?
Yes, KEHONG BIO provides custom synthesis services for BAS 00287720 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.