1-芘亚甲基丙二腈
TL;DR: 1-芘亚甲基丙二腈 (CAS 27287-82-7) is a chemical compound with molecular formula C16H22O4S and molecular weight 310.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-芘亚甲基丙二腈
2-[2-(3,4-dimethoxyphenyl)cyclohexyl]sulfanylacetic acid
Also Known As: 2-Cyclohex-1-enyl-1,3-dimethoxy-benzol, {[2-(3,4-dimethoxyphenyl)cyclohexyl]sulfanyl}acetic acid, 2-[2-(3,4-dimethoxyphenyl)cyclohexyl]sulfanylacetic acid, Acetic acid,[[2-(3,4-dimethoxyphenyl)cyclohexyl]thio]-, trans- (8CI)
| Molecular Formula | C16H22O4S |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.12387 |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 27287-82-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CCCCC2SCC(=O)O)OC |
| InChIKey | OIZZURHKYIZIGQ-UHFFFAOYSA-N |
Product Overview
1-芘亚甲基丙二腈 (CAS 27287-82-7), with molecular formula C16H22O4S and molecular weight 310.12 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)cyclohexyl]sulfanylacetic acid.
Chemical Property Profile of 1-芘亚甲基丙二腈
Property Insights of 1-芘亚甲基丙二腈
The XLogP value of 3.6 indicates that 1-芘亚甲基丙二腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-芘亚甲基丙二腈. Following Lipinski's Rule of Five, 1-芘亚甲基丙二腈 has 1 hydrogen bond donor(s) and 5 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-芘亚甲基丙二腈?
The CAS number of 1-芘亚甲基丙二腈 is 27287-82-7.
What is the molecular formula of 1-芘亚甲基丙二腈?
The molecular formula of 1-芘亚甲基丙二腈 is C16H22O4S.
What is the molecular weight of 1-芘亚甲基丙二腈?
The molecular weight of 1-芘亚甲基丙二腈 is 310.12 g/mol.
Where can I buy 1-芘亚甲基丙二腈?
You can request a quote for 1-芘亚甲基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-芘亚甲基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 1-芘亚甲基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.