生物素甲酯
TL;DR: 生物素甲酯 (CAS 608-16-2) is a chemical compound with molecular formula C11H18N2O3S and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
生物素甲酯
methyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
Also Known As: Biotin methyl ester, Biotinmethylester, (+)-biotin methyl ester, Biotin methyl, d-biotin methyl ester
| Molecular Formula | C11H18N2O3S |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.10382 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 608-16-2 |
|---|---|
| SMILES | COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 |
| InChIKey | BHEWJAXNLVWPSC-NRPADANISA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
生物素甲酯 (CAS 608-16-2), with molecular formula C11H18N2O3S and molecular weight 258.10 g/mol. IUPAC: methyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate.
Chemical Property Profile of 生物素甲酯
Property Insights of 生物素甲酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 生物素甲酯. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 生物素甲酯. Following Lipinski's Rule of Five, 生物素甲酯 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 生物素甲酯?
The CAS number of 生物素甲酯 is 608-16-2.
What is the molecular formula of 生物素甲酯?
The molecular formula of 生物素甲酯 is C11H18N2O3S.
What is the molecular weight of 生物素甲酯?
The molecular weight of 生物素甲酯 is 258.10 g/mol.
Where can I buy 生物素甲酯?
You can request a quote for 生物素甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 生物素甲酯?
Yes, KEHONG BIO provides custom synthesis services for 生物素甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.