N-4-Isopropylbenzylglucamine dithiocarbamate
TL;DR: N-4-Isopropylbenzylglucamine dithiocarbamate (CAS 1251-84-9) is a chemical compound with molecular formula C17H27NO5S2 and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentahydroxyhexyl-[(4-propan-2-ylphenyl)methyl]carbamodithioic acid
Also Known As: N-Pbgd, N-4-Isopropylbenzylglucamine dithiocarbamate, N-p-Isopropylbenzyl-D-glucamine dithiocarbamate, 2,3,4,5,6-pentahydroxyhexyl-[(4-propan-2-ylphenyl)methyl]carbamodithioic acid, 1-deoxy-1-{[4-(propan-2-yl)benzyl](sulfanylcarbothioyl)amino}hexitol
| Molecular Formula | C17H27NO5S2 |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.13306 |
| Heavy Atoms | 25 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 1251-84-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CN(CC(C(C(C(CO)O)O)O)O)C(=S)S |
| InChIKey | JEQPSYBWBTWNHF-UHFFFAOYSA-N |
Product Overview
N-4-Isopropylbenzylglucamine dithiocarbamate (CAS 1251-84-9), with molecular formula C17H27NO5S2 and molecular weight 389.13 g/mol. IUPAC: 2,3,4,5,6-pentahydroxyhexyl-[(4-propan-2-ylphenyl)methyl]carbamodithioic acid.
Chemical Property Profile of N-4-Isopropylbenzylglucamine dithiocarbamate
Property Insights of N-4-Isopropylbenzylglucamine dithiocarbamate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-4-Isopropylbenzylglucamine dithiocarbamate. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-4-Isopropylbenzylglucamine dithiocarbamate. Following Lipinski's Rule of Five, N-4-Isopropylbenzylglucamine dithiocarbamate has 6 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 N-4-Isopropylbenzylglucamine dithiocarbamate?
The CAS number of N-4-Isopropylbenzylglucamine dithiocarbamate is 1251-84-9.
What is the molecular formula of N-4-Isopropylbenzylglucamine dithiocarbamate?
The molecular formula of N-4-Isopropylbenzylglucamine dithiocarbamate is C17H27NO5S2.
What is the molecular weight of N-4-Isopropylbenzylglucamine dithiocarbamate?
The molecular weight of N-4-Isopropylbenzylglucamine dithiocarbamate is 389.13 g/mol.
Where can I buy N-4-Isopropylbenzylglucamine dithiocarbamate?
You can request a quote for N-4-Isopropylbenzylglucamine dithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-4-Isopropylbenzylglucamine dithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for N-4-Isopropylbenzylglucamine dithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.