Yohimbyl alcohol cyclic sulfite ester
TL;DR: Yohimbyl alcohol cyclic sulfite ester (CAS 439-64-5) is a chemical compound with molecular formula C20H24N2O3S and molecular weight 372.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dioxa-7λ4-thia-14,24-diazahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-17(25),18,20,22-tetraene 7-oxide
Also Known As: Yohimbyl alcohol cyclic sulfite ester, Yohimbylalkohol-cycl.-sulfit, Yohimban-16-alpha-methanol, 17-alpha-hydroxy-, cyclic sulfite ester, 17alpha-Hydroxyyohimban-16alpha-methanol 16,17-sulfurous acid, 4a,5,6,6a,7,9,10,15,15b,16,16a,16b-dodecahydro-1h-[1,3,2]dioxathiino[5,4-f]indolo[2',3':3,4]pyrido[1,2-b]isoquinoline 3-oxide
| Molecular Formula | C20H24N2O3S |
|---|---|
| Molecular Weight | 372.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 372.15076 |
| Heavy Atoms | 26 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 439-64-5 |
|---|---|
| SMILES | C1CC2C(COS(=O)O2)C3C1CN4CCC5=C(C4C3)NC6=CC=CC=C56 |
| InChIKey | LQYRZOSVKDSOFB-UHFFFAOYSA-N |
Product Overview
Yohimbyl alcohol cyclic sulfite ester (CAS 439-64-5), with molecular formula C20H24N2O3S and molecular weight 372.15 g/mol. IUPAC: 6,8-dioxa-7λ4-thia-14,24-diazahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-17(25),18,20,22-tetraene 7-oxide.
Chemical Property Profile of Yohimbyl alcohol cyclic sulfite ester
Property Insights of Yohimbyl alcohol cyclic sulfite ester
The XLogP value of 3.2 indicates that Yohimbyl alcohol cyclic sulfite ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Yohimbyl alcohol cyclic sulfite ester. Following Lipinski's Rule of Five, Yohimbyl alcohol cyclic sulfite ester 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 Yohimbyl alcohol cyclic sulfite ester?
The CAS number of Yohimbyl alcohol cyclic sulfite ester is 439-64-5.
What is the molecular formula of Yohimbyl alcohol cyclic sulfite ester?
The molecular formula of Yohimbyl alcohol cyclic sulfite ester is C20H24N2O3S.
What is the molecular weight of Yohimbyl alcohol cyclic sulfite ester?
The molecular weight of Yohimbyl alcohol cyclic sulfite ester is 372.15 g/mol.
Where can I buy Yohimbyl alcohol cyclic sulfite ester?
You can request a quote for Yohimbyl alcohol cyclic sulfite ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yohimbyl alcohol cyclic sulfite ester?
Yes, KEHONG BIO provides custom synthesis services for Yohimbyl alcohol cyclic sulfite ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.