Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester
TL;DR: Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester (CAS 65907-48-4) is a chemical compound with molecular formula C17H26N2O4S and molecular weight 354.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-propan-2-ylphenyl) N-[(butoxycarbonylamino)methylsulfanylmethyl]carbamate
Also Known As: Thiobis(N-methylcarbamic acid) butyl 3-isopropylphenyl ester, CARBAMIC ACID, THIOBIS(N-METHYL-, BUTYL 3-ISOPROPYLPHENYL ESTER, Butyl 3-(propan-2-yl)phenyl [sulfanediylbis(methylene)]biscarbamate, (3-propan-2-ylphenyl) N-[(butoxycarbonylamino)methylsulfanylmethyl]carbamate, 6-Oxa-3-thia-2,4-diazadecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester
| Molecular Formula | C17H26N2O4S |
|---|---|
| Molecular Weight | 354.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 354.16132 |
| Heavy Atoms | 24 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 65907-48-4 |
|---|---|
| SMILES | CCCCOC(=O)NCSCNC(=O)OC1=CC=CC(=C1)C(C)C |
| InChIKey | JPSPJPKEVNIZKZ-UHFFFAOYSA-N |
Product Overview
Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester (CAS 65907-48-4), with molecular formula C17H26N2O4S and molecular weight 354.16 g/mol. IUPAC: (3-propan-2-ylphenyl) N-[(butoxycarbonylamino)methylsulfanylmethyl]carbamate.
Chemical Property Profile of Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester
Property Insights of Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester
The XLogP value of 4.4 indicates that Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester. Following Lipinski's Rule of Five, Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester 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 Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester?
The CAS number of Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester is 65907-48-4.
What is the molecular formula of Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester?
The molecular formula of Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester is C17H26N2O4S.
What is the molecular weight of Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester?
The molecular weight of Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester is 354.16 g/mol.
Where can I buy Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester?
You can request a quote for Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.