二亚甲基三脲
TL;DR: 二亚甲基三脲 (CAS 15499-91-9) is a chemical compound with molecular formula C5H12N6O3 and molecular weight 204.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二亚甲基三脲
1,3-bis[(carbamoylamino)methyl]urea
Also Known As: Dimethylenetriurea, Dimethylene triurea, 1,3-bis(ureidomethyl)urea, 1,3-bis[(carbamoylamino)methyl]urea, N,N'-Bis-ureidomethyl-harnstoff
| Molecular Formula | C5H12N6O3 |
|---|---|
| Molecular Weight | 204.10 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.09709 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 15499-91-9 |
|---|---|
| SMILES | C(NC(=O)N)NC(=O)NCNC(=O)N |
| InChIKey | OKNSZPQWMKXIEO-UHFFFAOYSA-N |
Product Overview
二亚甲基三脲 (CAS 15499-91-9), with molecular formula C5H12N6O3 and molecular weight 204.10 g/mol. IUPAC: 1,3-bis[(carbamoylamino)methyl]urea.
Chemical Property Profile of 二亚甲基三脲
Property Insights of 二亚甲基三脲
The XLogP value of -3.0 indicates that 二亚甲基三脲 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.0 Ų indicates high polarity, suggesting 二亚甲基三脲 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 二亚甲基三脲 has 6 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 二亚甲基三脲?
The CAS number of 二亚甲基三脲 is 15499-91-9.
What is the molecular formula of 二亚甲基三脲?
The molecular formula of 二亚甲基三脲 is C5H12N6O3.
What is the molecular weight of 二亚甲基三脲?
The molecular weight of 二亚甲基三脲 is 204.10 g/mol.
Where can I buy 二亚甲基三脲?
You can request a quote for 二亚甲基三脲 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二亚甲基三脲?
Yes, KEHONG BIO provides custom synthesis services for 二亚甲基三脲 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.