BAS 00231805
TL;DR: BAS 00231805 (CAS 331648-12-5) is a chemical compound with molecular formula C29H32N2O3 and molecular weight 456.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)methyl]-6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
Also Known As: BAS 00231805, 10-((8-hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one
| Molecular Formula | C29H32N2O3 |
|---|---|
| Molecular Weight | 456.24 g/mol |
| LogP | 4.79542 |
| Topological Polar Surface Area | 56.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.2413 |
| Heavy Atoms | 34 |
| Complexity | 1399.4669 |
Chemical Identifiers
| CAS Number | 331648-12-5 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=C3CCCN4C3=C2CCC4)CC5=C(C6=C7C(=C5)CCCN7CCC6)O |
Product Overview
BAS 00231805 (CAS 331648-12-5), with molecular formula C29H32N2O3 and molecular weight 456.24 g/mol. IUPAC: 5-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)methyl]-6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one.
Chemical Property Profile of BAS 00231805
Property Insights of BAS 00231805
The XLogP value of 4.79542 indicates that BAS 00231805 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.92 Ų, BAS 00231805 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00231805 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 00231805?
The CAS number of BAS 00231805 is 331648-12-5.
What is the molecular formula of BAS 00231805?
The molecular formula of BAS 00231805 is C29H32N2O3.
What is the molecular weight of BAS 00231805?
The molecular weight of BAS 00231805 is 456.24 g/mol.
Where can I buy BAS 00231805?
You can request a quote for BAS 00231805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00231805?
Yes, KEHONG BIO provides custom synthesis services for BAS 00231805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.