Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1)
TL;DR: Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1) (CAS 40819-93-0) is a chemical compound with molecular formula C22H28Cl2N2O3 and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl (1R,9R,10S,13S,14R,16S)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-18-carboxylate;hydrochloride
Also Known As: LORAJMINE HYDROCHLORIDE, Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1), Chloromethyl (16xi)-21alpha-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1), chloromethyl(16, I,21
| Molecular Formula | C22H28Cl2N2O3 |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 2.97 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.1477 |
| Heavy Atoms | 29 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 40819-93-0 |
|---|---|
| SMILES | CC[C@@H]1[C@H](N2[C@H]3CC1C4[C@@H]2C[C@@]5([C@H]3N(C6=CC=CC=C65)C)C4C(=O)OCCl)O.Cl |
| InChIKey | AYOOBSOISDVXMB-CANKQREJSA-N |
Product Overview
Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1) (CAS 40819-93-0), with molecular formula C22H28Cl2N2O3 and molecular weight 438.15 g/mol. IUPAC: chloromethyl (1R,9R,10S,13S,14R,16S)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-18-carboxylate;hydrochloride.
Chemical Property Profile of Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1)
Property Insights of Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1)
The XLogP value of 2.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 53.0 Ų, Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 5 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 Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1)?
The CAS number of Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1) is 40819-93-0.
What is the molecular formula of Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1)?
The molecular formula of Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1) is C22H28Cl2N2O3.
What is the molecular weight of Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1)?
The molecular weight of Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1) is 438.15 g/mol.
Where can I buy Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1)?
You can request a quote for Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.