Coumarin-d6
TL;DR: Coumarin-d6 (CAS 116295-83-1) is a chemical compound with molecular formula C9H6O2 and molecular weight 152.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5,6,7,8-hexadeuteriochromen-2-one
Also Known As: Coumarin-d6, HY-N0709S1, (~2~H_6_)-2H-1-Benzopyran-2-one, 3,4,5,6,7,8-hexadeuteriochromen-2-one, 2H-1-Benzopyran-2-one-3,4,5,6,7,8-d6
| Molecular Formula | C9H6O2 |
|---|---|
| Molecular Weight | 152.07 g/mol |
| LogP | 1.793 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.07443 |
| Heavy Atoms | 11 |
| Complexity | 690.41626 |
Chemical Identifiers
| CAS Number | 116295-83-1 |
|---|---|
| SMILES | [2H]C1=C(C(=C2C(=C1[2H])C(=C(C(=O)O2)[2H])[2H])[2H])[2H] |
Product Overview
Coumarin-d6 (CAS 116295-83-1), with molecular formula C9H6O2 and molecular weight 152.07 g/mol. IUPAC: 3,4,5,6,7,8-hexadeuteriochromen-2-one.
Chemical Property Profile of Coumarin-d6
Property Insights of Coumarin-d6
The XLogP value of 1.793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin-d6. With a topological polar surface area (TPSA) of 30.21 Ų, Coumarin-d6 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin-d6 has 0 hydrogen bond donor(s) and 2 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 Coumarin-d6?
The CAS number of Coumarin-d6 is 116295-83-1.
What is the molecular formula of Coumarin-d6?
The molecular formula of Coumarin-d6 is C9H6O2.
What is the molecular weight of Coumarin-d6?
The molecular weight of Coumarin-d6 is 152.07 g/mol.
Where can I buy Coumarin-d6?
You can request a quote for Coumarin-d6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin-d6?
Yes, KEHONG BIO provides custom synthesis services for Coumarin-d6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.