9-(2-Carboxyethyl)guanine
TL;DR: 9-(2-Carboxyethyl)guanine (CAS 84627-98-5) is a chemical compound with molecular formula C7H8Cl6 and molecular weight 301.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,5S,6R)-1,2,3,4,5,6-hexachloro-1-methylcyclohexane
Also Known As: 9-(2-Carboxyethyl)guanine, J3.766.291G, (2R,3S,5S,6R)-1,2,3,4,5,6-hexachloro-1-methylcyclohexane, Cyclohexane, 1,2,3,4,5,6-hexachloro-1-methyl-, (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-, (1S,2R,3S,4R,5S,6R)-1,2,3,4,5,6-HEXACHLORO-1-METHYLCYCLOHEXANE
| Molecular Formula | C7H8Cl6 |
|---|---|
| Molecular Weight | 301.88 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 301.8757 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 84627-98-5 |
|---|---|
| SMILES | CC1([C@@H]([C@H](C([C@@H]([C@H]1Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | PKACUKWXCDWSHV-MBXCVVGISA-N |
Product Overview
9-(2-Carboxyethyl)guanine (CAS 84627-98-5), with molecular formula C7H8Cl6 and molecular weight 301.88 g/mol. IUPAC: (2R,3S,5S,6R)-1,2,3,4,5,6-hexachloro-1-methylcyclohexane.
Chemical Property Profile of 9-(2-Carboxyethyl)guanine
Property Insights of 9-(2-Carboxyethyl)guanine
The XLogP value of 4.1 indicates that 9-(2-Carboxyethyl)guanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 9-(2-Carboxyethyl)guanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(2-Carboxyethyl)guanine has 0 hydrogen bond donor(s) and 0 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 9-(2-Carboxyethyl)guanine?
The CAS number of 9-(2-Carboxyethyl)guanine is 84627-98-5.
What is the molecular formula of 9-(2-Carboxyethyl)guanine?
The molecular formula of 9-(2-Carboxyethyl)guanine is C7H8Cl6.
What is the molecular weight of 9-(2-Carboxyethyl)guanine?
The molecular weight of 9-(2-Carboxyethyl)guanine is 301.88 g/mol.
Where can I buy 9-(2-Carboxyethyl)guanine?
You can request a quote for 9-(2-Carboxyethyl)guanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(2-Carboxyethyl)guanine?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-Carboxyethyl)guanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.