KST-1B3984
TL;DR: KST-1B3984 (CAS 40374-17-2) is a chemical compound with molecular formula C31H40N4O6 and molecular weight 564.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1',5,17-tributylspiro[5,9,17-triazapentacyclo[10.7.0.02,9.03,7.015,19]nonadeca-10,12-diene-8,3'-pyrrolidine]-2',4,5',6,16,18-hexone
Also Known As: KST-1B3984, 1,2',11'-tributyl-3a',9a',12a',12b',12c',12d'-hexahydro-1'h,2h,5h-spiro[pyrrolidine-3,9'-pyrrolo[3,4-h]pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline]-1',2,3',5,10',12'(2'h,4'h,11'h)-hexone, 1,2',11'-tributyl-3a',9a',12a',12b',12c',12d'-hexahydro-1'h,, 1,2',11'-Tributyl-3'a,9'a,12'a,12'b,12'c,12'd-hexahydro-1'H-spiro[pyrrolidine-3,9'-pyrrolo[3,4-h]pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline]-1',2,3',5,10',12'(2'H,4'H,11'H)-hexone
| Molecular Formula | C31H40N4O6 |
|---|---|
| Molecular Weight | 564.29 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 564.2948 |
| Heavy Atoms | 41 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 40374-17-2 |
|---|---|
| SMILES | CCCCN1C(=O)CC2(C1=O)C3C(C4N2C=CC5=CCC6C(C45)C(=O)N(C6=O)CCCC)C(=O)N(C3=O)CCCC |
| InChIKey | CCCYCGIPXQEBNK-UHFFFAOYSA-N |
Product Overview
KST-1B3984 (CAS 40374-17-2), with molecular formula C31H40N4O6 and molecular weight 564.29 g/mol. IUPAC: 1',5,17-tributylspiro[5,9,17-triazapentacyclo[10.7.0.02,9.03,7.015,19]nonadeca-10,12-diene-8,3'-pyrrolidine]-2',4,5',6,16,18-hexone.
Chemical Property Profile of KST-1B3984
Property Insights of KST-1B3984
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1B3984. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B3984. Following Lipinski's Rule of Five, KST-1B3984 has 0 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 KST-1B3984?
The CAS number of KST-1B3984 is 40374-17-2.
What is the molecular formula of KST-1B3984?
The molecular formula of KST-1B3984 is C31H40N4O6.
What is the molecular weight of KST-1B3984?
The molecular weight of KST-1B3984 is 564.29 g/mol.
Where can I buy KST-1B3984?
You can request a quote for KST-1B3984 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B3984?
Yes, KEHONG BIO provides custom synthesis services for KST-1B3984 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.