Sebastianine B
TL;DR: Sebastianine B (CAS 448264-65-1) is a chemical compound with molecular formula C22H19N3O3 and molecular weight 373.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14R,16R)-14-hydroxy-16-propan-2-yl-15-oxa-2,12,18-triazahexacyclo[11.8.1.114,18.03,8.09,22.021,23]tricosa-1,3,5,7,9(22),10,12,21(23)-octaen-17-one
Also Known As: Sebastianine B, J1.788.174D, (14R)-8-Hydroxy-14-isopropyl-8,9,10,11-tetrahydro-8alpha,9-(epoxyethano)-7,9,12-triazabenzo[de]cyclopenta[a]anthracene-13-one, (14R,16R)-14-hydroxy-16-(propan-2-yl)-15-oxa-2,12,18-triazahexacyclo[11.8.1.114,18.03,8.09,22.021,23]tricosa-1,3,5,7,9,11,13(22),21(23)-octaen-17-one, (14R,16R)-14-hydroxy-16-propan-2-yl-15-oxa-2,12,18-triazahexacyclo(11.8.1.114,18.03,8.09,22.021,23)tricosa-1,3,5,7,9(22),10,12,21(23)-octaen-17-one
| Molecular Formula | C22H19N3O3 |
|---|---|
| Molecular Weight | 373.14 g/mol |
| LogP | 2.9399 |
| Topological Polar Surface Area | 75.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 373.14264 |
| Heavy Atoms | 28 |
| Complexity | 1232.402 |
Chemical Identifiers
| CAS Number | 448264-65-1 |
|---|---|
| SMILES | CC(C)[C@@H]1C(=O)N2CCC3=C2[C@@](O1)(C4=NC=CC5=C4C3=NC6=CC=CC=C56)O |
Product Overview
Sebastianine B (CAS 448264-65-1), with molecular formula C22H19N3O3 and molecular weight 373.14 g/mol. IUPAC: (14R,16R)-14-hydroxy-16-propan-2-yl-15-oxa-2,12,18-triazahexacyclo[11.8.1.114,18.03,8.09,22.021,23]tricosa-1,3,5,7,9(22),10,12,21(23)-octaen-17-one.
Chemical Property Profile of Sebastianine B
Property Insights of Sebastianine B
The XLogP value of 2.9399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sebastianine B. The TPSA of 75.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Sebastianine B. Following Lipinski's Rule of Five, Sebastianine B 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 Sebastianine B?
The CAS number of Sebastianine B is 448264-65-1.
What is the molecular formula of Sebastianine B?
The molecular formula of Sebastianine B is C22H19N3O3.
What is the molecular weight of Sebastianine B?
The molecular weight of Sebastianine B is 373.14 g/mol.
Where can I buy Sebastianine B?
You can request a quote for Sebastianine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sebastianine B?
Yes, KEHONG BIO provides custom synthesis services for Sebastianine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.