WIN 51708 hydrate
TL;DR: WIN 51708 hydrate (CAS 144177-30-0) is a chemical compound with molecular formula C29H33N3O and molecular weight 439.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11.0.03,15.04,12.07,11.019,27.021,26]octacosa-1(28),17,19,21,23,25-hexaen-8-ol
Also Known As: WIN 51708 hydrate, 144177-30-0 (anhydrous), WIN 51,708, 1-ethynyl-15a,17a-dimethyl-2,3,3a,3b,4,5,5a,6,15,15a,15b,16,17,17a-tetradecahydro-1h-benzimidazo[2,1-b]cyclopenta[5,6]naphtho[1,2-g]quinazolin-1-ol
| Molecular Formula | C29H33N3O |
|---|---|
| Molecular Weight | 439.26 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 439.26236 |
| Heavy Atoms | 33 |
| Complexity | 866.0 |
Chemical Identifiers
| CAS Number | 144177-30-0 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2(C#C)O)CCC4C3(CC5=CN6C7=CC=CC=C7N=C6N=C5C4)C |
| InChIKey | AIIXYCDTEGICEE-UHFFFAOYSA-N |
Product Overview
WIN 51708 hydrate (CAS 144177-30-0), with molecular formula C29H33N3O and molecular weight 439.26 g/mol. IUPAC: 8-ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11.0.03,15.04,12.07,11.019,27.021,26]octacosa-1(28),17,19,21,23,25-hexaen-8-ol.
Chemical Property Profile of WIN 51708 hydrate
Property Insights of WIN 51708 hydrate
The XLogP value of 6.5 indicates that WIN 51708 hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, WIN 51708 hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, WIN 51708 hydrate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of WIN 51708 hydrate?
The CAS number of WIN 51708 hydrate is 144177-30-0.
What is the molecular formula of WIN 51708 hydrate?
The molecular formula of WIN 51708 hydrate is C29H33N3O.
What is the molecular weight of WIN 51708 hydrate?
The molecular weight of WIN 51708 hydrate is 439.26 g/mol.
Where can I buy WIN 51708 hydrate?
You can request a quote for WIN 51708 hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WIN 51708 hydrate?
Yes, KEHONG BIO provides custom synthesis services for WIN 51708 hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.