Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)-
TL;DR: Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)- (CAS 91422-98-9) is a chemical compound with molecular formula C18H15BrO and molecular weight 326.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S)-2-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-1-ol
Also Known As: 2-Bromo-1,2,3,4-tetrahydrotetraphen-1-ol, (1S,2S)-2-bromo-1,2,3,4-tetrahydrotetraphen-1-ol, Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)-, (1S,2S)-2-Bromo-1,2,3,4-tetrahydro-benzo[a]anthracen-1-ol, (1S,2S)-2-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-1-ol
| Molecular Formula | C18H15BrO |
|---|---|
| Molecular Weight | 326.03 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 326.03064 |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 91422-98-9 |
|---|---|
| SMILES | C1CC2=C([C@@H]([C@H]1Br)O)C3=CC4=CC=CC=C4C=C3C=C2 |
| InChIKey | ZEORQQOXSYTPAN-FUHWJXTLSA-N |
Product Overview
Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)- (CAS 91422-98-9), with molecular formula C18H15BrO and molecular weight 326.03 g/mol. IUPAC: (1S,2S)-2-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-1-ol.
Chemical Property Profile of Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)-
Property Insights of Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)-
The XLogP value of 4.5 indicates that Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)- has 1 hydrogen bond donor(s) and 1 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 Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)-?
The CAS number of Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)- is 91422-98-9.
What is the molecular formula of Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)-?
The molecular formula of Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)- is C18H15BrO.
What is the molecular weight of Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)-?
The molecular weight of Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)- is 326.03 g/mol.
Where can I buy Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)-?
You can request a quote for Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.