(1|A,2|A)-crinan-1,2-diol
TL;DR: (1|A,2|A)-crinan-1,2-diol (CAS 1803-57-2) is a chemical compound with molecular formula C16H19NO4 and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,13R,16R,17S)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-16,17-diol
Also Known As: Amabiline, (1, A,2, A)-crinan-1,2-diol, A)-crinan-1,2-diol
| Molecular Formula | C16H19NO4 |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 289.1314 |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 1803-57-2 |
|---|---|
| SMILES | C1C[C@@H]2[C@@]3(CCN2CC4=CC5=C(C=C43)OCO5)[C@@H]([C@@H]1O)O |
| InChIKey | DLYIURZCCWSUKD-MPESAESLSA-N |
Product Overview
(1|A,2|A)-crinan-1,2-diol (CAS 1803-57-2), with molecular formula C16H19NO4 and molecular weight 289.13 g/mol. IUPAC: (1S,13R,16R,17S)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-16,17-diol.
Chemical Property Profile of (1|A,2|A)-crinan-1,2-diol
Property Insights of (1|A,2|A)-crinan-1,2-diol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1|A,2|A)-crinan-1,2-diol. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (1|A,2|A)-crinan-1,2-diol. Following Lipinski's Rule of Five, (1|A,2|A)-crinan-1,2-diol 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 (1|A,2|A)-crinan-1,2-diol?
The CAS number of (1|A,2|A)-crinan-1,2-diol is 1803-57-2.
What is the molecular formula of (1|A,2|A)-crinan-1,2-diol?
The molecular formula of (1|A,2|A)-crinan-1,2-diol is C16H19NO4.
What is the molecular weight of (1|A,2|A)-crinan-1,2-diol?
The molecular weight of (1|A,2|A)-crinan-1,2-diol is 289.13 g/mol.
Where can I buy (1|A,2|A)-crinan-1,2-diol?
You can request a quote for (1|A,2|A)-crinan-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1|A,2|A)-crinan-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for (1|A,2|A)-crinan-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.