Pacitran
TL;DR: Pacitran (CAS 14457-27-3) is a chemical compound with molecular formula C24H33ClN2O5 and molecular weight 464.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,15S,17R,18R,19S,20S)-6,17,18-trimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
Also Known As: Pacitran, Su 8842 hydrochloride, Metoserpate hydrochloride, Methyl 18-epireserpate methyl ether hydrochloride, 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 11,17-alpha,18-beta-trimethoxy-, methyl ester, hydrochloride
| Molecular Formula | C24H33ClN2O5 |
|---|---|
| Molecular Weight | 464.21 g/mol |
| LogP | 3.3565 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.2078 |
| Heavy Atoms | 32 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 14457-27-3 |
|---|---|
| SMILES | CO[C@@H]1C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]([C@H]1OC)C(=O)OC)NC5=C4C=CC(=C5)OC.Cl |
| InChIKey | RVUCXCLULXWKIQ-TVFCCTGHSA-N |
Product Overview
Pacitran (CAS 14457-27-3), with molecular formula C24H33ClN2O5 and molecular weight 464.21 g/mol. IUPAC: methyl (1R,15S,17R,18R,19S,20S)-6,17,18-trimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride.
Chemical Property Profile of Pacitran
Property Insights of Pacitran
The XLogP value of 3.3565 indicates that Pacitran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pacitran. Following Lipinski's Rule of Five, Pacitran has 2 hydrogen bond donor(s) and 6 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 Pacitran?
The CAS number of Pacitran is 14457-27-3.
What is the molecular formula of Pacitran?
The molecular formula of Pacitran is C24H33ClN2O5.
What is the molecular weight of Pacitran?
The molecular weight of Pacitran is 464.21 g/mol.
Where can I buy Pacitran?
You can request a quote for Pacitran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pacitran?
Yes, KEHONG BIO provides custom synthesis services for Pacitran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.