heptyl N-(9H-xanthen-9-yl)carbamodithioate
TL;DR: heptyl N-(9H-xanthen-9-yl)carbamodithioate (CAS 6326-08-5) is a chemical compound with molecular formula C21H25NOS2 and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl N-(9H-xanthen-9-yl)carbamodithioate
Also Known As: heptyl N-(9H-xanthen-9-yl)carbamodithioate, Heptyl 9H-xanthen-9-yldithiocarbamate, heptyl 9H-xanthen-9-ylcarbamodithioate
| Molecular Formula | C21H25NOS2 |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 6.4598 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.13776 |
| Heavy Atoms | 25 |
| Complexity | 671.0472 |
Chemical Identifiers
| CAS Number | 6326-08-5 |
|---|---|
| SMILES | CCCCCCCSC(=S)NC1C2=CC=CC=C2OC3=CC=CC=C13 |
Product Overview
heptyl N-(9H-xanthen-9-yl)carbamodithioate (CAS 6326-08-5), with molecular formula C21H25NOS2 and molecular weight 371.14 g/mol. IUPAC: heptyl N-(9H-xanthen-9-yl)carbamodithioate.
Chemical Property Profile of heptyl N-(9H-xanthen-9-yl)carbamodithioate
Property Insights of heptyl N-(9H-xanthen-9-yl)carbamodithioate
The XLogP value of 6.4598 indicates that heptyl N-(9H-xanthen-9-yl)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, heptyl N-(9H-xanthen-9-yl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, heptyl N-(9H-xanthen-9-yl)carbamodithioate 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 heptyl N-(9H-xanthen-9-yl)carbamodithioate?
The CAS number of heptyl N-(9H-xanthen-9-yl)carbamodithioate is 6326-08-5.
What is the molecular formula of heptyl N-(9H-xanthen-9-yl)carbamodithioate?
The molecular formula of heptyl N-(9H-xanthen-9-yl)carbamodithioate is C21H25NOS2.
What is the molecular weight of heptyl N-(9H-xanthen-9-yl)carbamodithioate?
The molecular weight of heptyl N-(9H-xanthen-9-yl)carbamodithioate is 371.14 g/mol.
Where can I buy heptyl N-(9H-xanthen-9-yl)carbamodithioate?
You can request a quote for heptyl N-(9H-xanthen-9-yl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for heptyl N-(9H-xanthen-9-yl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for heptyl N-(9H-xanthen-9-yl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.