Adociaquinone B
TL;DR: Adociaquinone B (CAS 13001-71-3) is a chemical compound with molecular formula C22H17NO6S and molecular weight 423.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-7,7-dioxo-18-oxa-7λ6-thia-10-azahexacyclo[15.6.1.02,15.04,13.06,11.020,24]tetracosa-2(15),3,6(11),13,17(24),19-hexaene-5,12,16-trione
Also Known As: Adociaquinone B, 14b-methyl-2,3,10,11-tetrahydro-1h,6h-furo[4',3',2':4,5]tetrapheno[10,9-b][1,4]thiazine-6,8,13(9h,14bh)-trione 12,12-dioxide, 1H,6H-Furo[4',3',2':8,9]phenanthro[2,3-g][1,4]benzothiazine-6,8,13(9H,14bH)-trione,2,3,10,11-tetrahydro-14b-methyl-, 12,12-dioxide, (+)-, 14b-Methyl-2,3,10,11-tetrahydro-1H-12lambda~6~-furo[4',3',2':4,5]tetrapheno[10,9-b][1,4]thiazine-6,8,12,12,13(9H,14bH)-pentone, 1H,6H-Furo(4',3',2':8,9)phenanthro(2,3-g)(1,4)benzothiazine-6,8,13(9H,14bH)-trione, 2,3,10,11-tetrahydro-14b-methyl-, 12,12-dioxide, (+)-
| Molecular Formula | C22H17NO6S |
|---|---|
| Molecular Weight | 423.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 423.07767 |
| Heavy Atoms | 30 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 13001-71-3 |
|---|---|
| SMILES | CC12CCCC3=COC(=C31)C(=O)C4=C2C=C5C(=C4)C(=O)C6=C(C5=O)S(=O)(=O)CCN6 |
| InChIKey | KJMXEMKLXNMFIG-UHFFFAOYSA-N |
Product Overview
Adociaquinone B (CAS 13001-71-3), with molecular formula C22H17NO6S and molecular weight 423.08 g/mol. IUPAC: 1-methyl-7,7-dioxo-18-oxa-7λ6-thia-10-azahexacyclo[15.6.1.02,15.04,13.06,11.020,24]tetracosa-2(15),3,6(11),13,17(24),19-hexaene-5,12,16-trione.
Chemical Property Profile of Adociaquinone B
Property Insights of Adociaquinone B
The XLogP value of 3.2 indicates that Adociaquinone B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Adociaquinone B. Following Lipinski's Rule of Five, Adociaquinone B 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 Adociaquinone B?
The CAS number of Adociaquinone B is 13001-71-3.
What is the molecular formula of Adociaquinone B?
The molecular formula of Adociaquinone B is C22H17NO6S.
What is the molecular weight of Adociaquinone B?
The molecular weight of Adociaquinone B is 423.08 g/mol.
Where can I buy Adociaquinone B?
You can request a quote for Adociaquinone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adociaquinone B?
Yes, KEHONG BIO provides custom synthesis services for Adociaquinone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.