Phenol-d6
TL;DR: Phenol-d6 (CAS 13127-88-3) is a chemical compound with molecular formula C6H6O and molecular weight 100.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentadeuterio-6-deuteriooxybenzene
Also Known As: Phenol-d6, phenol, Phenol D6, (2H6)Phenol, Oxybenzened5
| Molecular Formula | C6H6O |
|---|---|
| Molecular Weight | 100.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.07953 |
| Heavy Atoms | 7 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 13127-88-3 |
|---|---|
| SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])O[2H])[2H])[2H] |
| InChIKey | ISWSIDIOOBJBQZ-QNKSCLMFSA-N |
Product Overview
Phenol-d6 (CAS 13127-88-3), with molecular formula C6H6O and molecular weight 100.08 g/mol. IUPAC: 1,2,3,4,5-pentadeuterio-6-deuteriooxybenzene.
Chemical Property Profile of Phenol-d6
Property Insights of Phenol-d6
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol-d6. With a topological polar surface area (TPSA) of 20.2 Ų, Phenol-d6 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol-d6 has 1 hydrogen bond donor(s) and 1 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 Phenol-d6?
The CAS number of Phenol-d6 is 13127-88-3.
What is the molecular formula of Phenol-d6?
The molecular formula of Phenol-d6 is C6H6O.
What is the molecular weight of Phenol-d6?
The molecular weight of Phenol-d6 is 100.08 g/mol.
Where can I buy Phenol-d6?
You can request a quote for Phenol-d6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol-d6?
Yes, KEHONG BIO provides custom synthesis services for Phenol-d6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.