5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester
TL;DR: 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester (CAS 49850-29-5) is a chemical compound with molecular formula C14H15N5O2S and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-[1-amino-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]carbamate
Also Known As: Prostaglandin D2 methyl ester, 5-BENZIMIDAZOLECARBAMIC ACID, 1-AMINO-2-(4-THIAZOLYL)-, ISOPROPYL ESTER, Carbamic acid, (1-amino-2(4-thiazolyl)-1H-benzimidazol-5-yl)-, 1-Amino-2-(4-thiazolyl)-5-benzimidazolecarbamic acid isopropyl ester, 1-Amino-2-(4-thiazolyl)-1H-benzimidazole-5-carbamic acid isopropyl ester
| Molecular Formula | C14H15N5O2S |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.09464 |
| Heavy Atoms | 22 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 49850-29-5 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC2=C(C=C1)N(C(=N2)C3=CSC=N3)N |
| InChIKey | MYRUZKJTCIHITF-UHFFFAOYSA-N |
Product Overview
5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester (CAS 49850-29-5), with molecular formula C14H15N5O2S and molecular weight 317.09 g/mol. IUPAC: propan-2-yl N-[1-amino-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]carbamate.
Chemical Property Profile of 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester
Property Insights of 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester. Following Lipinski's Rule of Five, 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester has 2 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 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester?
The CAS number of 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester is 49850-29-5.
What is the molecular formula of 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester?
The molecular formula of 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester is C14H15N5O2S.
What is the molecular weight of 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester?
The molecular weight of 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester is 317.09 g/mol.
Where can I buy 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester?
You can request a quote for 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzimidazolecarbamic acid, 1-amino-2-(4-thiazolyl)-, isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.