2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)-
TL;DR: 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)- (CAS 101858-94-0) is a chemical compound with molecular formula C17H24O3 and molecular weight 276.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4aS,8aR)-2-(phenylmethoxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-ol
Also Known As: 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)-, (2S,3R,4aS,8aR)-2-(phenylmethoxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-ol, (2S,3R,4aS,8aR)-2-[(Benzyloxy)methyl]octahydro-2H-1-benzopyran-3-ol, 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)-
| Molecular Formula | C17H24O3 |
|---|---|
| Molecular Weight | 276.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.17255 |
| Heavy Atoms | 20 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 101858-94-0 |
|---|---|
| SMILES | C1CC[C@@H]2[C@@H](C1)C[C@H]([C@@H](O2)COCC3=CC=CC=C3)O |
| InChIKey | IIXXOTSRMYTNLD-HZMVEIRTSA-N |
Product Overview
2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)- (CAS 101858-94-0), with molecular formula C17H24O3 and molecular weight 276.17 g/mol. IUPAC: (2S,3R,4aS,8aR)-2-(phenylmethoxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-ol.
Chemical Property Profile of 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)-
Property Insights of 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)-. With a topological polar surface area (TPSA) of 38.7 Ų, 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)- 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 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)-?
The CAS number of 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)- is 101858-94-0.
What is the molecular formula of 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)-?
The molecular formula of 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)- is C17H24O3.
What is the molecular weight of 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)-?
The molecular weight of 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)- is 276.17 g/mol.
Where can I buy 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)-?
You can request a quote for 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-3-ol, octahydro-2-((phenylmethoxy)methyl)-, (2alpha,3beta,4aalpha,8abeta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.