RefChem:320730
TL;DR: RefChem:320730 (CAS 42135-40-0) is a chemical compound with molecular formula C23H31N9O6 and molecular weight 529.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-amino-4-imino-2,6-dimethyl-6-[(1-methyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,5-triazabicyclo[3.1.0]hexan-2-yl]methyl]-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: N,N'-Bis(1-methyl-5-allyl-5-propylidenebarbituryl)diaminoguanidine hydrochloride, 5-Acetonyl-5-allyl-1-methylbarbituric acid 5,5'-imidocarbonyldihydrazone hydrochloride, Barbituric acid, 5-acetonyl-5-allyl-1-methyl-, 5,5'-imidocarbonyldihydrazone, hydrochloride, 5,5'-{[(4z)-3-amino-4-imino-2,6-dimethyl-1,3,5-triazabicyclo[3.1.0]hexane-2,6-diyl]dimethanediyl}bis[1-methyl-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1h,3h,5h)-trione], 5-[[3-amino-2-imino-4,6-dimethyl-6-[(1-methyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,5-triazabicyclo[3.1.0]hexan-4-yl]methyl]-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C23H31N9O6 |
|---|---|
| Molecular Weight | 529.24 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.23975 |
| Heavy Atoms | 38 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 42135-40-0 |
|---|---|
| SMILES | CC1(N(C(=N)N2N1C2(C)CC3(C(=O)NC(=O)N(C3=O)C)CC=C)N)CC4(C(=O)NC(=O)N(C4=O)C)CC=C |
| InChIKey | JLKKEFCUDCIKOJ-UHFFFAOYSA-N |
Product Overview
RefChem:320730 (CAS 42135-40-0), with molecular formula C23H31N9O6 and molecular weight 529.24 g/mol. IUPAC: 5-[[3-amino-4-imino-2,6-dimethyl-6-[(1-methyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,5-triazabicyclo[3.1.0]hexan-2-yl]methyl]-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of RefChem:320730
Property Insights of RefChem:320730
The XLogP value of -0.2 indicates that RefChem:320730 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 192.0 Ų indicates high polarity, suggesting RefChem:320730 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:320730 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:320730?
The CAS number of RefChem:320730 is 42135-40-0.
What is the molecular formula of RefChem:320730?
The molecular formula of RefChem:320730 is C23H31N9O6.
What is the molecular weight of RefChem:320730?
The molecular weight of RefChem:320730 is 529.24 g/mol.
Where can I buy RefChem:320730?
You can request a quote for RefChem:320730 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:320730?
Yes, KEHONG BIO provides custom synthesis services for RefChem:320730 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.