4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans-
TL;DR: 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans- (CAS 80124-65-8) 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.
(3S,4S)-3-bromo-1,2,3,4-tetrahydrochrysen-4-ol
Also Known As: 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans-, 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, (3S-trans)-, (3S,4R)-3-bromo-1,2,3,4-tetrahydrochrysen-4-ol, (3S,4S)-3-Bromo-1,2,3,4-tetrahydro-chrysen-4-ol, (3S,4S)-3-bromo-1,2,3,4-tetrahydrochrysen-4-ol
| Molecular Formula | C18H15BrO |
|---|---|
| Molecular Weight | 326.03 g/mol |
| LogP | 4.8 |
| 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 | 80124-65-8 |
|---|---|
| SMILES | C1CC2=C([C@@H]([C@H]1Br)O)C3=C(C=C2)C4=CC=CC=C4C=C3 |
| InChIKey | VZFRPVWDMXOWNC-FUHWJXTLSA-N |
Product Overview
4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans- (CAS 80124-65-8), with molecular formula C18H15BrO and molecular weight 326.03 g/mol. IUPAC: (3S,4S)-3-bromo-1,2,3,4-tetrahydrochrysen-4-ol.
Chemical Property Profile of 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans-
Property Insights of 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans-
The XLogP value of 4.8 indicates that 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, 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, 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, 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 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans-?
The CAS number of 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans- is 80124-65-8.
What is the molecular formula of 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans-?
The molecular formula of 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans- is C18H15BrO.
What is the molecular weight of 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans-?
The molecular weight of 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans- is 326.03 g/mol.
Where can I buy 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans-?
You can request a quote for 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans-?
Yes, KEHONG BIO provides custom synthesis services for 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.