![compound 27 [PMID: 38592023] structure](/static/products/3036/3036752-42-5.webp)
compound 27 [PMID: 38592023]
TL;DR: compound 27 [PMID: 38592023] (CAS 3036752-42-5) is a chemical compound with molecular formula C20H27NO5S and molecular weight 393.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,2R)-2-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: compound 27 [PMID: 38592023], (1R,2R)-2-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
| Molecular Formula | C20H27NO5S |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 4.0232 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.16098 |
| Heavy Atoms | 27 |
| Complexity | 726.1994 |
Chemical Identifiers
| CAS Number | 3036752-42-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)[C@@H]3CCCC[C@H]3C(=O)O |
Product Overview
compound 27 [PMID: 38592023] (CAS 3036752-42-5), with molecular formula C20H27NO5S and molecular weight 393.16 g/mol. IUPAC: trans-(1R,2R)-2-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of compound 27 [PMID: 38592023]
Property Insights of compound 27 [PMID: 38592023]
The XLogP value of 4.0232 indicates that compound 27 [PMID: 38592023] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for compound 27 [PMID: 38592023]. Following Lipinski's Rule of Five, compound 27 [PMID: 38592023] has 2 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 compound 27 [PMID: 38592023]?
The CAS number of compound 27 [PMID: 38592023] is 3036752-42-5.
What is the molecular formula of compound 27 [PMID: 38592023]?
The molecular formula of compound 27 [PMID: 38592023] is C20H27NO5S.
What is the molecular weight of compound 27 [PMID: 38592023]?
The molecular weight of compound 27 [PMID: 38592023] is 393.16 g/mol.
Where can I buy compound 27 [PMID: 38592023]?
You can request a quote for compound 27 [PMID: 38592023] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for compound 27 [PMID: 38592023]?
Yes, KEHONG BIO provides custom synthesis services for compound 27 [PMID: 38592023] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.