1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride
TL;DR: 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride (CAS 3206-07-3) is a chemical compound with molecular formula C23H40Cl2N8 and molecular weight 498.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(Z)-[(8S,9S,10R,13S,14S,17S)-17-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]guanidine;dihydrochloride
Also Known As: 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride, Guanidine, 1,1'-(preg-4-ene-3,20-diylidenedinitrilo)di-, dihydrochloride
| Molecular Formula | C23H40Cl2N8 |
|---|---|
| Molecular Weight | 498.28 g/mol |
| LogP | 3.6877 |
| Topological Polar Surface Area | 153.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.2753 |
| Heavy Atoms | 33 |
| Complexity | 886.8923 |
Chemical Identifiers
| CAS Number | 3206-07-3 |
|---|---|
| SMILES | C/C(=N\N=C(N)N)/[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N\N=C(N)N)/CC[C@]34C)C.Cl.Cl |
Product Overview
1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride (CAS 3206-07-3), with molecular formula C23H40Cl2N8 and molecular weight 498.28 g/mol. IUPAC: 2-[(Z)-[(8S,9S,10R,13S,14S,17S)-17-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]guanidine;dihydrochloride.
Chemical Property Profile of 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride
Property Insights of 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride
The XLogP value of 3.6877 indicates that 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.52 Ų indicates high polarity, suggesting 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride has 4 hydrogen bond donor(s) and 4 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 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride?
The CAS number of 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride is 3206-07-3.
What is the molecular formula of 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride?
The molecular formula of 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride is C23H40Cl2N8.
What is the molecular weight of 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride?
The molecular weight of 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride is 498.28 g/mol.
Where can I buy 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride?
You can request a quote for 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(Preg-4-ene-3,20-diylidenedinitrilo)diguanidine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.