CAR027
TL;DR: CAR027 (CAS 107819-90-9) is a chemical compound with molecular formula C12H22N2O4S and molecular weight 290.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (NE)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-methylsulfanylmethylidene]carbamate
Also Known As: CAR027, 1,3-DI-BOC-2-METHYLISOTHIOURE, 1,3-Bis(tert-butoxycarbonyl)-2-methyl-2-thiopseudourea, N,N'-Bis(tert-butoxycarbonyl)-S-methylisothiourea, I14-16620
| Molecular Formula | C12H22N2O4S |
|---|---|
| Molecular Weight | 290.13 g/mol |
| LogP | 3.1652 |
| Topological Polar Surface Area | 76.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 290.13004 |
| Heavy Atoms | 19 |
| Complexity | 366.90613 |
Chemical Identifiers
| CAS Number | 107819-90-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N/C(=N\C(=O)OC(C)(C)C)/SC |
Product Overview
CAR027 (CAS 107819-90-9), with molecular formula C12H22N2O4S and molecular weight 290.13 g/mol. IUPAC: tert-butyl (NE)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-methylsulfanylmethylidene]carbamate.
Chemical Property Profile of CAR027
Property Insights of CAR027
The XLogP value of 3.1652 indicates that CAR027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.99 Ų falls within the moderate polarity range, balancing permeability and solubility for CAR027. Following Lipinski's Rule of Five, CAR027 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 CAR027?
The CAS number of CAR027 is 107819-90-9.
What is the molecular formula of CAR027?
The molecular formula of CAR027 is C12H22N2O4S.
What is the molecular weight of CAR027?
The molecular weight of CAR027 is 290.13 g/mol.
Where can I buy CAR027?
You can request a quote for CAR027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAR027?
Yes, KEHONG BIO provides custom synthesis services for CAR027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.