2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine
TL;DR: 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine (CAS 101670-44-4) is a chemical compound with molecular formula C14H16N2O3S3 and molecular weight 356.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-(hydroxymethyl)-6,8-dimethyl-2,3,4-trithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione
Also Known As: Hyalodendrin II, 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine, 2,3,4-Trithia-6,8-diazabicyclo(3.2.2)nonane-7,9-dione, 1-(hydroxymethyl)-6,8-dimethyl-5-(phenylmethyl)-, 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithio-3,6-diketopiperazine, 1-Benzyl-5-(hydroxymethyl)-6,8-dimethyl-2,3,4-trithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione
| Molecular Formula | C14H16N2O3S3 |
|---|---|
| Molecular Weight | 356.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.03232 |
| Heavy Atoms | 22 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 101670-44-4 |
|---|---|
| SMILES | CN1C(=O)C2(N(C(=O)C1(SSS2)CC3=CC=CC=C3)C)CO |
| InChIKey | AHWKVWYCCGUYET-UHFFFAOYSA-N |
Product Overview
2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine (CAS 101670-44-4), with molecular formula C14H16N2O3S3 and molecular weight 356.03 g/mol. IUPAC: 1-benzyl-5-(hydroxymethyl)-6,8-dimethyl-2,3,4-trithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione.
Chemical Property Profile of 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine
Property Insights of 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine. Following Lipinski's Rule of Five, 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine has 1 hydrogen bond donor(s) and 6 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 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine?
The CAS number of 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine is 101670-44-4.
What is the molecular formula of 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine?
The molecular formula of 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine is C14H16N2O3S3.
What is the molecular weight of 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine?
The molecular weight of 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine is 356.03 g/mol.
Where can I buy 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine?
You can request a quote for 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.