![[4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate structure](/static/products/2916/29168-74-9.webp)
[4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate
TL;DR: [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate (CAS 29168-74-9) is a chemical compound with molecular formula C20H21Cl2N5O6 and molecular weight 497.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate
Also Known As: [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate|n-[6-chloro-5-(formylamino)pyrimidin-4-yl]-5-o-[(3-chlorophenyl)carbamoyl]-2,3-o-(1-methylethylidene)pentofuranosylamine|N-{6-Chloro-5-[(hydroxymethylidene)amino]pyrimidin-4-yl}-5-O-{[(3-chlorophenyl)imino](hydroxy)methyl}-2,3-O-(1-methylethylidene)pentofuranosylamine
| Molecular Formula | C20H21Cl2N5O6 |
|---|---|
| Molecular Weight | 497.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.08688 |
| Heavy Atoms | 33 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 29168-74-9 |
|---|---|
| SMILES | CC1(OC2C(OC(C2O1)NC3=C(C(=NC=N3)Cl)NC=O)COC(=O)NC4=CC(=CC=C4)Cl)C |
| InChIKey | UBZBAXAGQZLBSN-UHFFFAOYSA-N |
Product Overview
[4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate (CAS 29168-74-9), with molecular formula C20H21Cl2N5O6 and molecular weight 497.09 g/mol. IUPAC: [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate
Property Insights of [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate. Following Lipinski's Rule of Five, [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate has 3 hydrogen bond donor(s) and 9 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 [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate?
The CAS number of [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate is 29168-74-9.
What is the molecular formula of [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate?
The molecular formula of [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate is C20H21Cl2N5O6.
What is the molecular weight of [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate?
The molecular weight of [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate is 497.09 g/mol.
Where can I buy [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate?
You can request a quote for [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(6-chloro-5-formamidopyrimidin-4-yl)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-(3-chlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.