USAF EL-91
TL;DR: USAF EL-91 (CAS 64039-24-3) is a chemical compound with molecular formula C13H22Cl2N4S2 and molecular weight 368.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(carbamimidoylsulfanylmethyl)-2,4,6-trimethylphenyl]methyl carbamimidothioate;dihydrochloride
Also Known As: Pseudourea, 2,4,6-trimethyl-m-xylylenedithiodi-, dihydrochloride, 2,4,6-Trimethyl-m-xylylene isothiourea dihydrochloride, 3-({[amino(imino)methyl]thio}methyl)-2,4,6-trimethylbenzyl aminomethanimidothioate dihydrochloride, [3-(carbamimidoylsulfanylmethyl)-2,4,6-trimethylphenyl]methyl carbamimidothioate;dihydrochloride, Pseudourea, 2,4,6-trimethyl-m-xylylenebis(2-thio-, dihydrochloride
| Molecular Formula | C13H22Cl2N4S2 |
|---|---|
| Molecular Weight | 368.07 g/mol |
| LogP | 3.71 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.06628 |
| Heavy Atoms | 21 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 64039-24-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CSC(=N)N)C)CSC(=N)N)C.Cl.Cl |
| InChIKey | HGIBEOZYJQYCGZ-UHFFFAOYSA-N |
Product Overview
USAF EL-91 (CAS 64039-24-3), with molecular formula C13H22Cl2N4S2 and molecular weight 368.07 g/mol. IUPAC: [3-(carbamimidoylsulfanylmethyl)-2,4,6-trimethylphenyl]methyl carbamimidothioate;dihydrochloride.
Chemical Property Profile of USAF EL-91
Property Insights of USAF EL-91
The XLogP value of 3.71 indicates that USAF EL-91 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting USAF EL-91 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, USAF EL-91 has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of USAF EL-91?
The CAS number of USAF EL-91 is 64039-24-3.
What is the molecular formula of USAF EL-91?
The molecular formula of USAF EL-91 is C13H22Cl2N4S2.
What is the molecular weight of USAF EL-91?
The molecular weight of USAF EL-91 is 368.07 g/mol.
Where can I buy USAF EL-91?
You can request a quote for USAF EL-91 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for USAF EL-91?
Yes, KEHONG BIO provides custom synthesis services for USAF EL-91 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.