1,4-Dihydro-2-methylbenzoicacid
TL;DR: 1,4-Dihydro-2-methylbenzoicacid (CAS 93939-81-2) is a chemical compound with molecular formula C22H28O5 and molecular weight 372.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]-4-oxobutanoic acid
Also Known As: 17beta-Estradiol hemisuccinate, ESTRADIOL HEMISUCCINATE, beta-Estradiol 17-hemisuccinate?, 1,4-DIHYDRO-2-METHYLBENZOICACID, beta-Estradiol-17beta-hemisuccinate
| Molecular Formula | C22H28O5 |
|---|---|
| Molecular Weight | 372.19 g/mol |
| LogP | 4.0249 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.19366 |
| Heavy Atoms | 27 |
| Complexity | 757.07007 |
Chemical Identifiers
| CAS Number | 93939-81-2 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O |
Product Overview
1,4-Dihydro-2-methylbenzoicacid (CAS 93939-81-2), with molecular formula C22H28O5 and molecular weight 372.19 g/mol. IUPAC: 4-[(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]-4-oxobutanoic acid.
Chemical Property Profile of 1,4-Dihydro-2-methylbenzoicacid
Property Insights of 1,4-Dihydro-2-methylbenzoicacid
The XLogP value of 4.0249 indicates that 1,4-Dihydro-2-methylbenzoicacid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dihydro-2-methylbenzoicacid. Following Lipinski's Rule of Five, 1,4-Dihydro-2-methylbenzoicacid has 2 hydrogen bond donor(s) and 4 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 1,4-Dihydro-2-methylbenzoicacid?
The CAS number of 1,4-Dihydro-2-methylbenzoicacid is 93939-81-2.
What is the molecular formula of 1,4-Dihydro-2-methylbenzoicacid?
The molecular formula of 1,4-Dihydro-2-methylbenzoicacid is C22H28O5.
What is the molecular weight of 1,4-Dihydro-2-methylbenzoicacid?
The molecular weight of 1,4-Dihydro-2-methylbenzoicacid is 372.19 g/mol.
Where can I buy 1,4-Dihydro-2-methylbenzoicacid?
You can request a quote for 1,4-Dihydro-2-methylbenzoicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dihydro-2-methylbenzoicacid?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dihydro-2-methylbenzoicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.