Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)-
TL;DR: Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)- (CAS 91366-01-7) is a chemical compound with molecular formula C25H19ClO3 and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl] 4-chlorobenzoate
Also Known As: Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)-, (1s,2r)-2-hydroxy-1,2,3,4-tetrahydrotetraphen-1-yl 4-chlorobenzoate, [(1S,2R)-2-hydroxy-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl] 4-chlorobenzoate, 4-Chloro-benzoic acid (1S,2R)-1-hydroxy-1,2,3,4-tetrahydro-benzo[a]anthracen-2-yl ester
| Molecular Formula | C25H19ClO3 |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.10226 |
| Heavy Atoms | 29 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 91366-01-7 |
|---|---|
| SMILES | C1CC2=C([C@@H]([C@@H]1O)OC(=O)C3=CC=C(C=C3)Cl)C4=CC5=CC=CC=C5C=C4C=C2 |
| InChIKey | OVBIYTFXYOCUDR-ISKFKSNPSA-N |
Product Overview
Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)- (CAS 91366-01-7), with molecular formula C25H19ClO3 and molecular weight 402.10 g/mol. IUPAC: [(1S,2R)-2-hydroxy-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl] 4-chlorobenzoate.
Chemical Property Profile of Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)-
Property Insights of Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)-
The XLogP value of 5.9 indicates that Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)-?
The CAS number of Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)- is 91366-01-7.
What is the molecular formula of Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)-?
The molecular formula of Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)- is C25H19ClO3.
What is the molecular weight of Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)-?
The molecular weight of Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)- is 402.10 g/mol.
Where can I buy Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)-?
You can request a quote for Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-chloro-, 1,2,3,4-tetrahydro-2-hydroxybenz(a)anthracen-1-yl ester, (1S-cis)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.