苯海拉明N-葡糖苷酸
TL;DR: 苯海拉明N-葡糖苷酸 (CAS 137908-78-2) is a chemical compound with molecular formula C23H29NO7 and molecular weight 431.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯海拉明N-葡糖苷酸
(2S,3S,4S,5R,6R)-6-[2-benzhydryloxyethyl(dimethyl)azaniumyl]-3,4,5-trihydroxyoxane-2-carboxylate
Also Known As: Diphenhydramine N-glucuronide, Diphenhydramine N-b-D-Glucuronide, Diphenhydramine Impurity 15, Diphenhydramine-N-glucuronide, Diphenhydramine N-beta-D-glucuronide
| Molecular Formula | C23H29NO7 |
|---|---|
| Molecular Weight | 431.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.1944 |
| Heavy Atoms | 31 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 137908-78-2 |
|---|---|
| SMILES | C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O |
| InChIKey | OAIGZXXQYIJBLR-WJJPVSRMSA-N |
Product Overview
苯海拉明N-葡糖苷酸 (CAS 137908-78-2), with molecular formula C23H29NO7 and molecular weight 431.19 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[2-benzhydryloxyethyl(dimethyl)azaniumyl]-3,4,5-trihydroxyoxane-2-carboxylate.
Chemical Property Profile of 苯海拉明N-葡糖苷酸
Property Insights of 苯海拉明N-葡糖苷酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯海拉明N-葡糖苷酸. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯海拉明N-葡糖苷酸. Following Lipinski's Rule of Five, 苯海拉明N-葡糖苷酸 has 3 hydrogen bond donor(s) and 7 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 苯海拉明N-葡糖苷酸?
The CAS number of 苯海拉明N-葡糖苷酸 is 137908-78-2.
What is the molecular formula of 苯海拉明N-葡糖苷酸?
The molecular formula of 苯海拉明N-葡糖苷酸 is C23H29NO7.
What is the molecular weight of 苯海拉明N-葡糖苷酸?
The molecular weight of 苯海拉明N-葡糖苷酸 is 431.19 g/mol.
Where can I buy 苯海拉明N-葡糖苷酸?
You can request a quote for 苯海拉明N-葡糖苷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯海拉明N-葡糖苷酸?
Yes, KEHONG BIO provides custom synthesis services for 苯海拉明N-葡糖苷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.