Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester
TL;DR: Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester (CAS 77478-93-4) is a chemical compound with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-(ethoxycarbonylamino)-5-methylpyrrolo[3,2-d][1,3]thiazin-2-ylidene]carbamate
Also Known As: Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester, ethyl N-[4-(ethoxycarbonylamino)-5-methylpyrrolo[3,2-d][1,3]thiazin-2-ylidene]carbamate
| Molecular Formula | C13H16N4O4S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.08923 |
| Heavy Atoms | 22 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 77478-93-4 |
|---|---|
| SMILES | CCOC(=O)NC1=C2C(=NC(=NC(=O)OCC)S1)C=CN2C |
| InChIKey | RKJSBWQFPPCHMS-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester (CAS 77478-93-4), with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol. IUPAC: ethyl N-[4-(ethoxycarbonylamino)-5-methylpyrrolo[3,2-d][1,3]thiazin-2-ylidene]carbamate.
Chemical Property Profile of Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester
Property Insights of Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester. Following Lipinski's Rule of Five, Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl 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 Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester?
The CAS number of Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester is 77478-93-4.
What is the molecular formula of Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester?
The molecular formula of Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester is C13H16N4O4S.
What is the molecular weight of Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester?
The molecular weight of Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester is 324.09 g/mol.
Where can I buy Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester?
You can request a quote for Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl 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, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.