6-氯-4-N-烯丙基嘧啶-4,5-二胺
TL;DR: 6-氯-4-N-烯丙基嘧啶-4,5-二胺 (CAS 181304-94-9) is a chemical compound with molecular formula C7H9ClN4 and molecular weight 184.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-氯-4-N-烯丙基嘧啶-4,5-二胺
6-chloro-4-N-prop-2-enylpyrimidine-4,5-diamine
Also Known As: N4-Allyl-6-chloropyrimidine-4,5-diamine, 6-chloro-4-N-prop-2-enylpyrimidine-4,5-diamine, N4-allyl-6-chloro-pyrimidine-4,5-diamine, N*4*-Allyl-6-chloro-pyrimidine-4,5-diamine, 6-chloro-4-N-(prop-2-en-1-yl)pyrimidine-4,5-diamine
| Molecular Formula | C7H9ClN4 |
|---|---|
| Molecular Weight | 184.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.05157 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 181304-94-9 |
|---|---|
| SMILES | C=CCNC1=C(C(=NC=N1)Cl)N |
| InChIKey | FTBSVFRUGUXZEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-氯-4-N-烯丙基嘧啶-4,5-二胺 (CAS 181304-94-9), with molecular formula C7H9ClN4 and molecular weight 184.05 g/mol. IUPAC: 6-chloro-4-N-prop-2-enylpyrimidine-4,5-diamine.
Chemical Property Profile of 6-氯-4-N-烯丙基嘧啶-4,5-二胺
Property Insights of 6-氯-4-N-烯丙基嘧啶-4,5-二胺
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-氯-4-N-烯丙基嘧啶-4,5-二胺. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-氯-4-N-烯丙基嘧啶-4,5-二胺. Following Lipinski's Rule of Five, 6-氯-4-N-烯丙基嘧啶-4,5-二胺 has 2 hydrogen bond donor(s) and 4 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 6-氯-4-N-烯丙基嘧啶-4,5-二胺?
The CAS number of 6-氯-4-N-烯丙基嘧啶-4,5-二胺 is 181304-94-9.
What is the molecular formula of 6-氯-4-N-烯丙基嘧啶-4,5-二胺?
The molecular formula of 6-氯-4-N-烯丙基嘧啶-4,5-二胺 is C7H9ClN4.
What is the molecular weight of 6-氯-4-N-烯丙基嘧啶-4,5-二胺?
The molecular weight of 6-氯-4-N-烯丙基嘧啶-4,5-二胺 is 184.05 g/mol.
Where can I buy 6-氯-4-N-烯丙基嘧啶-4,5-二胺?
You can request a quote for 6-氯-4-N-烯丙基嘧啶-4,5-二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-氯-4-N-烯丙基嘧啶-4,5-二胺?
Yes, KEHONG BIO provides custom synthesis services for 6-氯-4-N-烯丙基嘧啶-4,5-二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.