Schweinine
TL;DR: Schweinine (CAS 15460-13-6) is a chemical compound with molecular formula C30H40N4O5 and molecular weight 536.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(11R,17S)-17-[(4-hydroxyphenyl)methyl]-18,23-dioxo-1,6,10,22-tetrazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-trien-15-yl] acetate
Also Known As: Schweinine, [(11R,17S)-17-[(4-hydroxyphenyl)methyl]-18,23-dioxo-1,6,10,22-tetrazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-trien-15-yl] acetate, (11r,17s)-17-(4-hydroxybenzyl)-18,23-dioxo-1,6,10,22-tetraazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-trien-15-yl acetate, 1,6,10,22-Tetraazatricyclo(9.7.6.112,16)pentacosa-12(25),13,15-triene-18,23-dione, 15-(acetyloxy)-17-((4-hydroxyphenyl)methyl)-, (11R-(11R*,17S*))-, 1,6,10,22-Tetraazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-triene-18,23-dione,15-(acetyloxy)-17-[(4-hydroxyphenyl)methyl]-, (11R,17S)- (9CI)
| Molecular Formula | C30H40N4O5 |
|---|---|
| Molecular Weight | 536.30 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 536.29987 |
| Heavy Atoms | 39 |
| Complexity | 802.0 |
Chemical Identifiers
| CAS Number | 15460-13-6 |
|---|---|
| SMILES | CC(=O)OC1=C2C=C(C=C1)[C@H]3CC(=O)NCCCN(CCCCNCCCN3)C(=O)[C@H]2CC4=CC=C(C=C4)O |
| InChIKey | LSZMIIMBHCIRKT-RRPNLBNLSA-N |
Product Overview
Schweinine (CAS 15460-13-6), with molecular formula C30H40N4O5 and molecular weight 536.30 g/mol. IUPAC: [(11R,17S)-17-[(4-hydroxyphenyl)methyl]-18,23-dioxo-1,6,10,22-tetrazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-trien-15-yl] acetate.
Chemical Property Profile of Schweinine
Property Insights of Schweinine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Schweinine. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Schweinine. Following Lipinski's Rule of Five, Schweinine has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Schweinine?
The CAS number of Schweinine is 15460-13-6.
What is the molecular formula of Schweinine?
The molecular formula of Schweinine is C30H40N4O5.
What is the molecular weight of Schweinine?
The molecular weight of Schweinine is 536.30 g/mol.
Where can I buy Schweinine?
You can request a quote for Schweinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Schweinine?
Yes, KEHONG BIO provides custom synthesis services for Schweinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.