beta-Erythroidine hydrochloride
TL;DR: beta-Erythroidine hydrochloride (CAS 596-11-2) is a chemical compound with molecular formula C16H20ClNO3 and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,16R)-16-methoxy-5-oxa-10-azoniatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one chloride
Also Known As: beta-erythroidine hydrochloride, beta-ERYTHROIDINE, HYDROCHLORIDE, I2-Erythroidine hydrochloride, .beta.-Erythroidine, hydrochloride, 16(15H)-Oxaerythrinan-15-one, 1,2,6,7-tetradehydro-14,17-dihydro-3-methoxy-, hydrochloride
| Molecular Formula | C16H20ClNO3 |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | -2.82 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.11316 |
| Heavy Atoms | 21 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 596-11-2 |
|---|---|
| SMILES | CO[C@@H]1C[C@]23C4=C(CC[NH+]2CC=C3C=C1)COC(=O)C4.[Cl-] |
| InChIKey | PLENFHSJZZDRNT-LINSIKMZSA-N |
Product Overview
beta-Erythroidine hydrochloride (CAS 596-11-2), with molecular formula C16H20ClNO3 and molecular weight 309.11 g/mol. IUPAC: (1S,16R)-16-methoxy-5-oxa-10-azoniatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one chloride.
Chemical Property Profile of beta-Erythroidine hydrochloride
Property Insights of beta-Erythroidine hydrochloride
The XLogP value of -2.82 indicates that beta-Erythroidine hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, beta-Erythroidine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Erythroidine hydrochloride has 1 hydrogen bond donor(s) and 4 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 beta-Erythroidine hydrochloride?
The CAS number of beta-Erythroidine hydrochloride is 596-11-2.
What is the molecular formula of beta-Erythroidine hydrochloride?
The molecular formula of beta-Erythroidine hydrochloride is C16H20ClNO3.
What is the molecular weight of beta-Erythroidine hydrochloride?
The molecular weight of beta-Erythroidine hydrochloride is 309.11 g/mol.
Where can I buy beta-Erythroidine hydrochloride?
You can request a quote for beta-Erythroidine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Erythroidine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for beta-Erythroidine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.