![2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol structure](/static/products/306/306947-39-7.png)
2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol
TL;DR: 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol (CAS 306947-39-7) is a chemical compound with molecular formula C9H18N2O2 and molecular weight 186.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dihydroxy-2-methyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d]imidazole
Also Known As: 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol, Cycloheptano[d]imidazolidine, 1,3-dihydroxy-2-methyl-, cyclohept[d]imidazole, decahydro-1,3-dihydroxy-2-methyl-, 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol #, 1,3-dihydroxy-2-methyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d]imidazole
| Molecular Formula | C9H18N2O2 |
|---|---|
| Molecular Weight | 186.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.13683 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 306947-39-7 |
|---|---|
| SMILES | CC1N(C2CCCCCC2N1O)O |
| InChIKey | QOUUPMQRFFKJRI-UHFFFAOYSA-N |
Product Overview
2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol (CAS 306947-39-7), with molecular formula C9H18N2O2 and molecular weight 186.14 g/mol. IUPAC: 1,3-dihydroxy-2-methyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d]imidazole.
Chemical Property Profile of 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol
Property Insights of 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol. With a topological polar surface area (TPSA) of 46.9 Ų, 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol has 2 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 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol?
The CAS number of 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol is 306947-39-7.
What is the molecular formula of 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol?
The molecular formula of 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol is C9H18N2O2.
What is the molecular weight of 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol?
The molecular weight of 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol is 186.14 g/mol.
Where can I buy 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol?
You can request a quote for 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylhexahydrocyclohepta[d]imidazole-1,3(2H,3ah)-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.