RefChem:1081232
TL;DR: RefChem:1081232 (CAS 37175-96-5) is a chemical compound with molecular formula C33H47N9O6 and molecular weight 665.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis[(E)-1-(1-cyclohexyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]guanidine
Also Known As: Carbonimidic dihydrazide, bis(2-(1-cyclohexylhexahydro-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl)-1-methylethylidene)-, (R*,R*)-(+-)-, N,N'-Bis(1-cyclohexyl-5-allyl-5-propylidenebarbituryl)diaminoguanidine, (+-)-5-Acetonyl-5-allyl-1-cyclohexylbarbituric acid 5,5'-imidocarbonyldihydrazone, Barbituric acid, 5-acetonyl-5-allyl-1-cyclohexyl-, 5,5'-imidocarbonyldihydrazone, (+-)-, BARBITURIC ACID, 5-ACETONYL-5-ALLYL-1-CYCLOHEXYL-, 5,5'-IMIDOCARBONYLDIHYDRAZONE
| Molecular Formula | C33H47N9O6 |
|---|---|
| Molecular Weight | 665.36 g/mol |
| LogP | 3.3699 |
| Topological Polar Surface Area | 208.09 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 665.3649 |
| Heavy Atoms | 48 |
| Complexity | 1442.248 |
Chemical Identifiers
| CAS Number | 37175-96-5 |
|---|---|
| SMILES | C/C(=N\N/C(=N/N=C(\C)/CC1(C(=O)NC(=O)N(C1=O)C2CCCCC2)CC=C)/N)/CC3(C(=O)NC(=O)N(C3=O)C4CCCCC4)CC=C |
Product Overview
RefChem:1081232 (CAS 37175-96-5), with molecular formula C33H47N9O6 and molecular weight 665.36 g/mol. IUPAC: 1,2-bis[(E)-1-(1-cyclohexyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]guanidine.
Chemical Property Profile of RefChem:1081232
Property Insights of RefChem:1081232
The XLogP value of 3.3699 indicates that RefChem:1081232 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.09 Ų indicates high polarity, suggesting RefChem:1081232 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1081232 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:1081232?
The CAS number of RefChem:1081232 is 37175-96-5.
What is the molecular formula of RefChem:1081232?
The molecular formula of RefChem:1081232 is C33H47N9O6.
What is the molecular weight of RefChem:1081232?
The molecular weight of RefChem:1081232 is 665.36 g/mol.
Where can I buy RefChem:1081232?
You can request a quote for RefChem:1081232 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081232?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081232 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.