(2H5)苯甲酸
TL;DR: (2H5)苯甲酸 (CAS 1079-02-3) is a chemical compound with molecular formula C7H6O2 and molecular weight 127.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2H5)苯甲酸
2,3,4,5,6-pentadeuteriobenzoic acid
Also Known As: benzoic acid-d5, benzoic-d5 acid, (2H5)Benzoic acid, Benzoic Acid D5, d5-benzoic acid
| Molecular Formula | C7H6O2 |
|---|---|
| Molecular Weight | 127.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.06816 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 1079-02-3 |
|---|---|
| SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)O)[2H])[2H] |
| InChIKey | WPYMKLBDIGXBTP-RALIUCGRSA-N |
Product Overview
(2H5)苯甲酸 (CAS 1079-02-3), with molecular formula C7H6O2 and molecular weight 127.07 g/mol. IUPAC: 2,3,4,5,6-pentadeuteriobenzoic acid.
Chemical Property Profile of (2H5)苯甲酸
Property Insights of (2H5)苯甲酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2H5)苯甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, (2H5)苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2H5)苯甲酸 has 1 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 (2H5)苯甲酸?
The CAS number of (2H5)苯甲酸 is 1079-02-3.
What is the molecular formula of (2H5)苯甲酸?
The molecular formula of (2H5)苯甲酸 is C7H6O2.
What is the molecular weight of (2H5)苯甲酸?
The molecular weight of (2H5)苯甲酸 is 127.07 g/mol.
Where can I buy (2H5)苯甲酸?
You can request a quote for (2H5)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2H5)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for (2H5)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.