13-Hydroxyspartein-2-one--hydrogen chloride (1/1)
TL;DR: 13-Hydroxyspartein-2-one--hydrogen chloride (1/1) (CAS 6809-89-8) is a chemical compound with molecular formula C15H25ClN2O2 and molecular weight 300.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;hydrochloride
Also Known As: Hydroxylupanine hydrochloride, Hydroxylupanine HCl, 13-Hydroxylupanine, 13-Hydroxylupanine hydrochloride, Chlorowodorek 13-hydroksylupaniny
| Molecular Formula | C15H25ClN2O2 |
|---|---|
| Molecular Weight | 300.16 g/mol |
| LogP | 1.2643 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 300.16046 |
| Heavy Atoms | 20 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 6809-89-8 |
|---|---|
| SMILES | C1C[C@H]2[C@@H]3C[C@H](CN2C(=O)C1)[C@@H]4C[C@H](CCN4C3)O.Cl |
| InChIKey | AYMJJTYUDBRBRA-MPNXSPFOSA-N |
Product Overview
13-Hydroxyspartein-2-one--hydrogen chloride (1/1) (CAS 6809-89-8), with molecular formula C15H25ClN2O2 and molecular weight 300.16 g/mol. IUPAC: (1R,2S,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;hydrochloride.
Chemical Property Profile of 13-Hydroxyspartein-2-one--hydrogen chloride (1/1)
Property Insights of 13-Hydroxyspartein-2-one--hydrogen chloride (1/1)
The XLogP value of 1.2643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Hydroxyspartein-2-one--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 43.8 Ų, 13-Hydroxyspartein-2-one--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13-Hydroxyspartein-2-one--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 3 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 13-Hydroxyspartein-2-one--hydrogen chloride (1/1)?
The CAS number of 13-Hydroxyspartein-2-one--hydrogen chloride (1/1) is 6809-89-8.
What is the molecular formula of 13-Hydroxyspartein-2-one--hydrogen chloride (1/1)?
The molecular formula of 13-Hydroxyspartein-2-one--hydrogen chloride (1/1) is C15H25ClN2O2.
What is the molecular weight of 13-Hydroxyspartein-2-one--hydrogen chloride (1/1)?
The molecular weight of 13-Hydroxyspartein-2-one--hydrogen chloride (1/1) is 300.16 g/mol.
Where can I buy 13-Hydroxyspartein-2-one--hydrogen chloride (1/1)?
You can request a quote for 13-Hydroxyspartein-2-one--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 13-Hydroxyspartein-2-one--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 13-Hydroxyspartein-2-one--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.