石斛碱
TL;DR: 石斛碱 (CAS 2115-91-5) is a chemical compound with molecular formula C16H26ClNO2 and molecular weight 299.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
石斛碱
(1S,4S,7S,8S,11S,12R,13S)-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one;hydrochloride
Also Known As: Dendrobine, Dendrobine, hydrochloride, Dendroban-12-one, hydrochloride, KST-1A4567, Dendroban-12-one--hydrogen chloride (1/1)
| Molecular Formula | C16H26ClNO2 |
|---|---|
| Molecular Weight | 299.17 g/mol |
| LogP | 2.5821 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.1652 |
| Heavy Atoms | 20 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 2115-91-5 |
|---|---|
| SMILES | CC(C)[C@H]1[C@@H]2[C@@H]3CC[C@H]4[C@@]3([C@@H]([C@H]1OC2=O)N(C4)C)C.Cl |
| InChIKey | KOTZYABOMHJSEA-RXRHBCKHSA-N |
Product Overview
石斛碱 (CAS 2115-91-5), with molecular formula C16H26ClNO2 and molecular weight 299.17 g/mol. IUPAC: (1S,4S,7S,8S,11S,12R,13S)-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one;hydrochloride.
Chemical Property Profile of 石斛碱
Property Insights of 石斛碱
The XLogP value of 2.5821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 石斛碱. With a topological polar surface area (TPSA) of 29.5 Ų, 石斛碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 石斛碱 has 1 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 石斛碱?
The CAS number of 石斛碱 is 2115-91-5.
What is the molecular formula of 石斛碱?
The molecular formula of 石斛碱 is C16H26ClNO2.
What is the molecular weight of 石斛碱?
The molecular weight of 石斛碱 is 299.17 g/mol.
Where can I buy 石斛碱?
You can request a quote for 石斛碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 石斛碱?
Yes, KEHONG BIO provides custom synthesis services for 石斛碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.