N1'-methoxycarbonylbiotin methyl ester
TL;DR: N1'-methoxycarbonylbiotin methyl ester (CAS 5442-31-9) is a chemical compound with molecular formula C13H20N2O5S and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3aR,6S,6aS)-6-(5-methoxy-5-oxopentyl)-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylate
Also Known As: N1'-Methoxycarbonylbiotin methyl ester, J1.431.764C, Methyl (3as,4s,6ar)-4-(5-Methoxy-5-Oxopentyl)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazole-1-Carboxylate, methyl(3as,4s,6ar)-4-(5-methoxy-5-oxopentyl)-2-oxohexahydro-1h-thieno[3,4-d]imidazole-1-carboxylate, 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-1-(methoxycarbonyl)-2-oxo, methyl ester, (3aS-(3aalpha,4beta,6aalpha))-
| Molecular Formula | C13H20N2O5S |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.10928 |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 5442-31-9 |
|---|---|
| SMILES | COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)N(C(=O)N2)C(=O)OC |
| InChIKey | BNKOHWLXGAGMAQ-QXEWZRGKSA-N |
Product Overview
N1'-methoxycarbonylbiotin methyl ester (CAS 5442-31-9), with molecular formula C13H20N2O5S and molecular weight 316.11 g/mol. IUPAC: methyl (3aR,6S,6aS)-6-(5-methoxy-5-oxopentyl)-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylate.
Chemical Property Profile of N1'-methoxycarbonylbiotin methyl ester
Property Insights of N1'-methoxycarbonylbiotin methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1'-methoxycarbonylbiotin methyl ester. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N1'-methoxycarbonylbiotin methyl ester. Following Lipinski's Rule of Five, N1'-methoxycarbonylbiotin methyl ester has 1 hydrogen bond donor(s) and 6 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 N1'-methoxycarbonylbiotin methyl ester?
The CAS number of N1'-methoxycarbonylbiotin methyl ester is 5442-31-9.
What is the molecular formula of N1'-methoxycarbonylbiotin methyl ester?
The molecular formula of N1'-methoxycarbonylbiotin methyl ester is C13H20N2O5S.
What is the molecular weight of N1'-methoxycarbonylbiotin methyl ester?
The molecular weight of N1'-methoxycarbonylbiotin methyl ester is 316.11 g/mol.
Where can I buy N1'-methoxycarbonylbiotin methyl ester?
You can request a quote for N1'-methoxycarbonylbiotin methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1'-methoxycarbonylbiotin methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N1'-methoxycarbonylbiotin methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.