吡哆醇/吡哆醇
TL;DR: 吡哆醇/吡哆醇 (CAS 99007-20-2) is a chemical compound with molecular formula C29H40ClN3O8 and molecular weight 593.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡哆醇/吡哆醇
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;hydrochloride
Also Known As: Diclegis, Bendectin, Diclectin, Debendox, BONJESTA
| Molecular Formula | C29H40ClN3O8 |
|---|---|
| Molecular Weight | 593.25 g/mol |
| LogP | 3.36112 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 593.25037 |
| Heavy Atoms | 41 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 99007-20-2 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CO)CO.CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O.Cl |
| InChIKey | AAYNMUXDBOPKCP-UHFFFAOYSA-N |
Product Overview
吡哆醇/吡哆醇 (CAS 99007-20-2), with molecular formula C29H40ClN3O8 and molecular weight 593.25 g/mol. IUPAC: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;hydrochloride.
Chemical Property Profile of 吡哆醇/吡哆醇
Property Insights of 吡哆醇/吡哆醇
The XLogP value of 3.36112 indicates that 吡哆醇/吡哆醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting 吡哆醇/吡哆醇 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 吡哆醇/吡哆醇 has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 吡哆醇/吡哆醇?
The CAS number of 吡哆醇/吡哆醇 is 99007-20-2.
What is the molecular formula of 吡哆醇/吡哆醇?
The molecular formula of 吡哆醇/吡哆醇 is C29H40ClN3O8.
What is the molecular weight of 吡哆醇/吡哆醇?
The molecular weight of 吡哆醇/吡哆醇 is 593.25 g/mol.
Where can I buy 吡哆醇/吡哆醇?
You can request a quote for 吡哆醇/吡哆醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡哆醇/吡哆醇?
Yes, KEHONG BIO provides custom synthesis services for 吡哆醇/吡哆醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.