Serpentine hydrochloride
TL;DR: Serpentine hydrochloride (CAS 55322-91-3) is a chemical compound with molecular formula C21H21ClN2O3 and molecular weight 384.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (15R,16S,20S)-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate chloride
Also Known As: Serpentine hydrochloride, Serpentine chloride, Serpentine, hydrochloride, SERPENTINE (ALKALOID), CHLORIDE, (19alpha)-3,4,5,6,16,17-Hexadehydro-16-(methoxycarbonyl)-19-methyloxayohimbanium chloride
| Molecular Formula | C21H21ClN2O3 |
|---|---|
| Molecular Weight | 384.12 g/mol |
| LogP | -0.12 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.12408 |
| Heavy Atoms | 27 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 55322-91-3 |
|---|---|
| SMILES | C[C@H]1[C@H]2C[N+]3=C(C[C@@H]2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4.[Cl-] |
| InChIKey | HKPNHORYVYLABA-RXAPEJBRSA-N |
Product Overview
Serpentine hydrochloride (CAS 55322-91-3), with molecular formula C21H21ClN2O3 and molecular weight 384.12 g/mol. IUPAC: methyl (15R,16S,20S)-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate chloride.
Chemical Property Profile of Serpentine hydrochloride
Property Insights of Serpentine hydrochloride
The XLogP value of -0.12 indicates that Serpentine hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.2 Ų, Serpentine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Serpentine 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 Serpentine hydrochloride?
The CAS number of Serpentine hydrochloride is 55322-91-3.
What is the molecular formula of Serpentine hydrochloride?
The molecular formula of Serpentine hydrochloride is C21H21ClN2O3.
What is the molecular weight of Serpentine hydrochloride?
The molecular weight of Serpentine hydrochloride is 384.12 g/mol.
Where can I buy Serpentine hydrochloride?
You can request a quote for Serpentine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Serpentine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Serpentine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.